NBS25-18

MDCUNIV. of ARIZONA

\

Standard x-ray diffraction powder pattern C 13.44: 25/sec.18

MONOGRAPH 25-SECTION 18

VAU o? * 3 9001 90045 6248

U.S. DEPARTMENT OF COMMERCE/ National Bureau of Standards

Standard X-ray DiffractionPowder Patterns

NATIONAL BUREAU OF STANDARDS

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Standard X-ray DiffractionPowder PatternsSection 18 Data for 58 Substances

Marlene C. Morris, Howard F. McMurdie, Eloise H. Evans, Boris Paretzkin, Harry S. Parker, and Nicolas C. Panagiotopoulos

International Centre for Diffraction Data

Camden R. Hubbard

National Measurement Laboratory National Bureau of Standards Washington, DC 20234

,»«« op c0/ •jCPDs

^ International Centre for Of "* Diffraction Data

U.S. DEPARTMENT OF COMMERCE, Malcolm Baldrige, Secretary

NATIONAL BUREAU OF STANDARDS, Ernest Ambler, Director

Issued October 1981

Library of Congress Catalog Card Number: 53-61386

National Bureau of Standards Monograph 25Section 18—Data for 58 Substances

Nat. Bur. Stand. (U.S.), Monogr. 25—Sec. 18, 110 pages (Oct. 1981) CODEN: NBSMA6

CONTENTS

Introduction

Experimental patterns:

Aluminum iron, AIFe ..........Ammonium cerium nitrate,

(NH4 ) 2Ce(N03 ) 6 ..........Ammonium tin fluoride, NH4SnF3 ....Arsenic bromide, AsBr3 ........Barium aluminum titanium oxide,

Ba 1 .23A12.46Ti5.54°16 .......Barium manganese oxide, BaMn04 ....Barium neodymium titanium oxide,

BaNd2Ti 30 10 ............Benzidine hydrochloride,

C12" 1.2" 2 *2HC1 ...........Beryllium nitride, Be3N2 .......Bismuth selenide (paraguanajuatite),

Bi 2Se3 ...............Calcium borate, CaB204 ........Calcium cyanamide, CaCN2 .......Calcium iron oxide, CaFe204 ......Calcium sulfate hydrate (bassanite),

CaS04 -0.5H20 ............Carbamazepine, P~C 15H12N20 .......Cerium niobium oxide

CeNb04 ...............Cerium tantalum oxide, CeTa04 .....Cesium magnesium titanium oxide,

Cs 1.45Mg0.724Ti 7,27°16 ......Chromium boride, Cr5B3 .........Cobalt fluoride, CoF2 .........Cobalt phosphide, Co2P ........Copper chloride hydrate (eriochalcite),

CuCl2 -2H20 .............lodoform, CHI 3 ............Iron boride, FeB ............Iron fluoride, FeF3 ..........Iron oxide (hematite), a-Fe203 ....Iron yttrium oxide, Fe 5Y30 12 .....Lithium iodide hydrate, LiI*3H20 ....Magnesium phosphate, a-Mg2P20 7 ....Manganese, p-Mn ............Molybdenum oxide, Mo02 .........Neodymium tantalum oxide, NdTa04 . . . Neodymium titanium oxide, Nd2Ti05 . . . Neodymium titanium oxide, Nd2Ti 2(>7 . . Neodymium titanium oxide, Nd4Ti 9024 . .

Page

1

689

1011

12

1415

16171920

2224

2527

29303132

3334353637384041434446485052

Nickel titanium oxide, NiTi03 ....Potassium fluoride hydrate, KF*2H20 . Potassium iron cyanide, K4Fe(CN) 6 . . Potassium vanadium oxide, KV03 . . . Silicon nitride, £-Si 3N4 ......Silicon oxide (quartz, low), a-Si02 . Sodium aluminum oxide, p-NaA102 . Sodium borate, NaB02 ........Sodium niobium oxide (lueshite),

NaNb03 ..............Sodium nitrosyl iron cyanide hydrate,

Na2 (NO)Fe(CN) 5 -2H20 .......Sodium vanadium oxide, a-NaV03 . . . Sodium vanadium oxide, p-NaV03 . . . Strontium iron oxide, SrFe 120 1 9 . . . Thorium carbide, ThC ........Thorium nitrate hydrate,

Th(N03 ) 4 -5H20 ..........Titanium carbide, TiC ........Tungsten oxide, W02 .........Uranium nitride, UN .........Uranyl acetate hydrate, C4H606U'2H20 Yttrium, Y .............Zinc acetate hydrate, C4H604Zn'2H20 . Zirconium fluoride, ZrF4 ......Zirconium oxide chloride hydrate,

ZrOCl 2 -8H20 ...........

Page

5455565759616263

64

6667686971

7273747576777879

81

Cumulative indices

(Circular 539, Volumes 1-10 and Monograph 25, Sections 1-18 inclusive)

1. Inorganic . . .2. Organic formula3. Organic name4. Mineral ....

8299101103

iii

STANDARD X-RAY DIFFRACTION POWDER PATTERNS

Previous work has been published as a book entitled Powder Diffraction Data from the Joint Committee on Powder Diffraction Standards Associateship at the National Bureau of Standards (1976) (JCPDS Inter national Centre for Diffraction Data, 1601 Park Lane, Swarthmore, PA 19081). The volume is sold with an accompnaying search manual, and contains 949 card images of patterns of experimental data, published orig inally as Circular 539 (vols. 1-10) and Monograph 25, Sections 1-12, and most of Section 13.

Individual copies of the Circular and Monograph are still available and may be obtained from the National Technical Information Service, 5285 Port Royal Road, Springfield, VA 22161. If a publication listed below is identified with a number, it must be used in ordering. All are available in hardcopy or microfiche; the price is not fixed and will be furnished on request.

NBS Publication Number NBS Publication Number

Circular 539, Volume 1.............PB 178 902Volume 2.............PB 178 903Volume 3.............PB 178 904Volume 4.............PB 178 905Volume 5.............PB 178 906Volume 6.............PB 178 907Volume 7.............PB 178 908Volume 8.............PB 178 909Volume 9.............PB 178 910Volume 10............PB 178 911

Monograph 25, Section Section Section Section Section Section Section Section Section Section Section Section Section Section Section

1..........PB 178 4292..........PB 178 4303..........PB 178 43145678..........PB 194 8729.........COM 72-5000210........COM 72-5107911........COM 74-5018312........COM 75-5016213.........PB 254 07314.........PB 272 37215.........PB 287 182

Also, until the present supply is exhausted, the following issues are for sale from the Superinten dent of Documents, U.S. Government Printing Office, Washington, DC 20402. Order by given catalog number, and add 25% to the price for other than U.S. mailing.

Catalog Number Price

Section 12..........................SN 003-003-01376-5 $1.50Section 13..........................SN 003-003-01629-2 1.80Section 14..........................SN 003-003-01842-2 2.75Section 15..........................SN 003-003-01986-1 4Section 16..........................SN 003-003-02128-8 5Section 17................... No Catalog Number Issued 4.50

ERRATA

0000

Monograph 25

Section Section Section

9, PP-15, p.17, p,

PP-P-P-

PP

73,74: Much of the data is incorrect. See a corrected pattern in this issue. 136: The correct year should be 1970 for the reference to Fletcher et al. 41: The color should be light grayish yellowish brown.62: Under "Structure," the date should be 1967 for reference to Katz and Megaw. 64: Under "References," after J. Appl. Crystallogr., add 2, 89. 70: Under "Synonym," at line 1, delete hydrate. 70: Under "Lattice constants," the value for c should be 5.567. 103,104: The text is out of order. Page 104 should precede page 103.

iv

STANDARD X-RAY DIFFRACTION POWDER PATTERNS

Section 18 Data for 58 Substances

by

Marlene C. Morris, Howard F. McMurdie, Eloise H. Evans,Boris Paretzkin, Harry S. Parker, and Nicolas C. Panagiotopoulos

JCPDS International Centre for Diffraction Data

and

Camden R. Hubbard National Bureau of Standards

Standard x-ray powder diffraction patterns are presented for 58 substances. These experimental patterns, useful for identification, were obtained by diffractometer methods. The lattice constants were refined by least-squares methods, and reflections were assigned Miller indices consistent with space group extinctions. Relative intensities, calculated densities, literature references, and other rele vant data are included.

Key words: Crystal structure; densities; lattice constants; powder patterns; reference intensities; standard; x-ray diffraction.

INTRODUCTION

The Powder Diffraction File (PDF) is a con tinuing compilation of diffraction patterns gathered from many sources. Produced and published by the JCPDS International Centre for Diffraction Data, 1 the PDF is used for identification of crystalline materials by matching d-spacings and diffraction intensity measurements. Under the partial spon sorship of the JCPDS, the program at the National Bureau of Standards contributes new or improved data to the PDF. Our work also aids in the de velopment of diffraction techniques. This report presents information for 58 experimental patterns, and is the twenty-eighth of the series of Standard X-ray Diffraction Powder Patterns. 2

EXPERIMENTAL POWDER PATTERNS

Names. The nomenclature follows the current practice of the PDF.

CAS registry number. The Chemical Abstracts Service Registry Number is included, when avail able, to help identify the sample. This number forms the basis for computer-aided searching of Chemical Abstracts.

Sample. The samples used to make NBS patterns were obtained from a variety of sources or were prepared in small quantities in our laboratory.

1JCPDS International Centre for Diffraction Data, 1601 Park Lane, Swarthmore, PA 19081. This Penn sylvania non-profit corporation functions in co operation with the American Ceramic Society, the American Crystallographic Association, the Amer ican Society for Testing and Materials, The Clay Minerals Society, The Institute of Physics, the Mineralogical Association of Canada, the Mineral- ogical Society of America, The Mineralogical Society of Great Britain and Ireland, the National Association of Corrosion Engineers, and the Societe Francaise de Mineralogie et de Cristallographie.

2See previous page for other published volumes.

Appropriate annealing or recrystallization of the samples improved the quality of many of the pat terns. A check of phase purity was provided by indexing the x-ray pattern and by optical exami nation.

Optical data. When reported, optical mea surements were made by grain immersion methods, in white light, using oils standardized in sodium light, in the refractive index range 1.49 to 2.1 [Hartshorne and Stuart, 1970].

The names of the sample colors are selected from the ISCC-NBS Centroid Color Charts [1965].

Interplanar spacings. All spacing determi nations were made using an internal standard mixed with the sample, packed in a shallow holder. Choice of the standard was determined by the need for low angle and unobstructed reflections. The amount of standard was estimated so that the in tensity of its strongest peak would be about equal to the intensity of the strongest peak of the sam ple. The internal standards used were of high purity (99.99%). The lattice constants used for them at 25 C are given in Table 1; the 26 angles were computed using cell dimensions uncorrected for index of refraction.

The internal standard Si powder is available as Standard Reference Material 640 [1974]. The lattice constant for the Si was refined from mul tiple powder data measurements made with tung sten as an internal standard [Swanson et al., 1966]. Single crystal cell parameter data were also collected. The lattice parameters from the two methods agreed within three parts in 10s [Hubbard et al., 1975]. D-spacing results using SRM 640 will be in agreement with patterns re corded in this series of Monographs since 1966.

All patterns were recorded at 25 i 1 C on a diffractometer equipped with a focusing graphite or

lithium fluoride crystal monochromator located between the sample and the scintillation counter. Pulse height discrimination was used as well. All data were collected using copper radiation: \(CuKofj, peak) = 1.5405981 [Deslattes and Henins, 1973].

Table 1

Calculated 26 Angles, CuKc^ \ = 1.540598A

hk£

110111200211220

310311222321400

331420422511/333440

531620533444

W o a=3.16524A .00004

40.262

58.25173.18486.996

100.632

114.923131.171153.535

Ag o a=4.08651A .00002

38.11244.295

64.437

77.39081.533

97.875

110.499114.914134.871156.737

Si o a=5.43088A .00004

28.443

47.303

56.123

69.131

76.377

88.03294.954106.710

114.094127.547136,897158.638

The readings of 26 were taken at positions about 20% of the way down from the top, and in the center of the peak width. This avoided errors associated with aberrations at the very top of the peaks. The Kor2 peaks were occasionally read to assist in establishing a Kc^ peak position, but Ka2 peaks are not reported.

At low angles, Kofj and Ka2 peaks were unre solved for both the sample and the internal stan dard. The internal standard corrections were established from the theoretical values for Kc^ and were applied to the unresolved low angle peaks, as well as to the resolved Kofj peaks in the higher angle regions. In general, if the internal stan dard correction varied along the length of the pattern, linear interpolations were used.

Structure, lattice constants. The space group symbols are given the short Hermann-Mauguin notation. Also given are the space group numbers listed in the International Tables for X-ray Crystallography, Vol. I [1965~T

Orthorhombic cell dimensions are arranged ac cording to the Dana convention b>a>c [Palache et al., 1944]. Monoclinic and triclinic lattice con stants are transformed if necessary in order to follow the convention of Crystal Data [1973]. The lattice constant ratios, a/b, c/b, and c/a, also follow the conventions used for the deter minative ratios in Crystal Data [1973].

In most cases, preliminary lattice constants were available in the literature, and were used for the initial indexing and refinement. In cases where such data were not available, other methods were tried. If suitable single crystals were available, the lattice constants were obtained by use of a four-circle diffractometer. Axial ratios and densities from Groth [1908] were sometimes useful. Cell constants were also found in some instances by use of the Visser computer program [1969].

A least squares program [Evans et al., 1963] assigned hk£'s and refined the lattice constants. In indexing cubic patterns, for a given reflection multiple hk£'s were not utilized in the refinement or reported. Instead, the single appropriate in dex having the largest h was used. Cell refine ment was based only upon 26 , values which could be indexed without ambiguity. The program mini mized the value I(6 obs-6 ., ) 2 . The estimated standard deviations (e.s.3. s) of the reciprocal cell parameters were determined from the inverse matrix of the normal equations. The program cal culated the e.s.d.'s of the direct cell constants by the method of propagation of errors. Since 1973, the e.s.d.'s derived by the computer program have been increased by 50% in order to reflect more truly the uncertainty in the lattice con stants. A similar increase should also be applied to all lattice constants published in this series prior to 1973. The e.s.d.'s in the least signif icant figures are given in parentheses following the lattice constants.

For each d-value, the number of significant figures was derived from the average error in |26 - 26 | and the equation Ad/d = -(cot6)A6. Witfi these conditions, the rounded value of d agrees with its appropriate 26 within the average error in 26. The value of A6 varies with the sum- metry and crystallinity of each sample.

Densities. These were calculated from the specified lattice constants, the Avogadro number 6.0220943 x 1023 [Deslattes et al., 1974] and 1977 atomic weights published by the International Union of Pure and Applied Chemistry [1979].

Figure of merit. Several figures of merit ratings are available for assessing indexed powder data. M20 [de Wolff, 1968] is a criterion for the reliability of the unit cell and indexing. A value of M20 > 10 will guarantee the essential correctness of the indexing provided there are not more than 2 spurious lines 0£20 < 2) [de Wolff, 1968]. In general, patterns reported in this publication had M20 > 20 and X = 0. M2 o is reported if a cell was derived only through com puter indexing from powder data, without further confirmation.

The accuracy and completeness of measured interplanar spacings is conveniently reported as F^ [Smith and Snyder, 1979]. The format joshed in this publication is FN = overall value (|A20|, N ), where N, the number of observed reflections ^wli chosen as 30, or the maximum number of lines of

the pattern if the entire pattern had fewer than 30 lines. The "overall value" is the figure of rneritj_F.,, as defined by Smith and Snyder [1979], and (A26| is the average absolute magnitude of discrepancy between observed and calculated 20 values for each reported hkA. N posg is the number of diffraction lines allowed in the space group, up to the Nth observed and indexed line. Co- positional lines such as the cubic 221 and 300 are counted as one possible line.

Intensity measurements. The intensities of the diffraction lines were measured as peak heights above background and were expressed in percentage of the strongest line. It has been found that samples which give satisfactory intensity patterns usually have an average particle size smaller than 10 pm, as recommended by Alexander et al. [1948]. In order to avoid the orientation effects which occur when powdered samples are packed or pressed, a sample holder was made that had in its top face a rectangular cavity which extended to one end of the holder. To prepare the sample, a glass slide was clamped over the top face to form a temporary cavity wall (see Figure 1), and the powdered sam ple was allowed to drift into the end opening while the holder was held in a vertical position. With the sample holder returned to a horizontal position, the glass slide was carefully removed so that the sample could be exposed to the x-ray beam (see Figure 2). As a general practice, ap proximately 50 volume percent of finely ground silica-gel was added as a diluent. Occasionally, a rotating sample holder was used.

As a check on reproducibility, each sample was mounted at least 3 times. The intensity values were determined for each of the mountings. The reported I re^value for each observed spacing is the average of 3 or more observations and is rounded to the nearest integer. Theta-compensating (variable divergence) slits were sometimes used to gather the intensity data. In that case, the average I(comp) for each spacing was converted to an equivalent fixed slit value, using the approxi mate equation:

I(fixed) = sin 6

The estimated standard deviation, a, in the relative intensity values was calculated from the values of the,five strongest lines, excluding the line with I =100.

and

a=m

where

m is the number of strong lines(usually 5), and

n is the number of independentobservations i, per line.

Figure 1.

Figure 2.

Where conversion of intensities for effects of theta-compensating slits was required, each a. was multiplied by the conversion factor

f - I(comp) I(fixed)

Reference intensity ratio, I/I corundum

The reference intensity ratio, I/I , has been de fined as the direct ratio of the intensity of the strongest reflection of a sample, to the inten sity of the 113 (hexagonal) reflection of corundum (a-Al 203 ) [Visser and de Wolff, 1964]. In this publication the ratios I/I are tabulated for cop per K(XI radiation, for a 1:1 mixture by weight ofthe sample and corundum, for very common phases.

I/I was determined only

A procedure has been adopted, to achieve greater statistical accuracy [Hubbard and Smith, 1977]. For any weight fractions of sample andcorundum, X and X (X = 1-X ), the intensities ' s c s c '

for reflection h of the sample and k of corundum were measured for several combinations of h and k usually within the same region of 26, to pro vide indications of possible preferred orienta tion, extinction, or other systematic errors. The reference intensity ratio is then given by

xe i rel (h) i c (k)

where (h ) indicates specifically which reflec tion was chosen for tabulation purposes. For each of our patterns, the reflection (h ) will be the one with I = 100 since only copper radiation was used. Typically, at least 3 sets of reflections and 2 mountings of the mixture were used to obtain 6 or more values for the reference intensity ratio, I/I . These values yielded, the tabulated aver- ageC<I/I >. From these data, the standard devia tion, a, was obtained from

T2 =n(n-l)

where n was the number of measurements of the reference intensity ratio. The standard deviation in the least significant figures is given in paren theses.

Format of tables. The printing of the data has been computerized. Superimposed reflections are treated in one of two ways. If a d-spacing has only two possible indices, an M is added to the d-spacing which is repeated on the next line, but with the second index. However, if there are more than two possible indices, a plus sign is used in like manner. In both cases, the composite intensity is printed only once and aligned with the first reflection. The symbol "1L" in the in tensity column is used to indicate "less than 1".

UNITSo o

In this publication the Angstrom unit (1A = 100 pm) was selected for presentation of the d- spacings and lattice parameters . This maintained consistency with (a) the earlier publications of Standard X-ray Diffraction Powder Patterns (Cir cular 539 and Monograph 25), (b) the publications of the International Union of Crystallography, and (c) the continuing publication of cards and search manuals of the PDF (now consisting of over 35,000 entries). The PDF search manuals are based on the d-spacings in A of the 3 strongest lines. Consis tent with the choice of the X unit for length, the volume of the unit cell is expressed in &3 (1A3 = 1 x 10~30 m3 ) . Densities are reported in g/cm3 (1 gm/cm3 = 10 3 kg/m3 ).

ACKNOWLEDGMENTS

We would like to thank Carolyn Wingo of the JCPDS Associateship for her assistance, particu larly for keyboarding the data and helping with the proofreading of this manuscript. Appreciation is also expressed to the Text Editing Facility of the National Measurement Laboratory of NBS for typing the manuscript.

REFERENCES

Alexander, L., Klug, H. P., and Kummer, E. (1948). J. Appl. Phys., 19, No. 8, 742.

Crystal Data (1973). (3rd Ed. Published jointly by the U.S. Department of Commerce, National Bureau of Standards, Washington, D.C. 20234, and the Joint Committee on Powder Diffraction Standards, 1601 Park Lane, Swarthmore, PA 19081).

Deslattes, R. D. and Henins, A. (1973). Phys. Rev. Lett. 3JL, 972.

Deslattes, R. D., Henins, A., Bowman, H. A.,Schoonover, R. M., Carroll, C. L., Barnes, I. L., Machlan, L. A., Moore, L. J., and Shields, W. R. (1974). Phys. Rev. Lett. 33, 463.

Evans, H. T., Jr., Appleman, and Handwerker, D. S. (1963). Report //PB216188, U.S. Dept. of Com merce, National Technical Information Center, 5285 Port Royal Rd., Springfield, VA 22151, $3.50.

Groth, P. (1908). Chemisehe Kristallographie H (Engelmann, Leipzig, Germany).

Hartshorne, N. H. and Stuart, A. (1970). Crystals and the Polarizing Microscope (Edward Arnold and Co., London, 4th Ed.)

Hubbard, C. R. and Smith, D. K. (1977). Advancesin X-ray Analysis, (Plenum Publishing Corpora tion, 227 West 17th St., New York, NY 10011), 20, p. 27.

Hubbard, C. R., Swanson, H. E., and Mauer, F. A. (1975). J. Appl. Crystallogr. 8, 45.

International Tables for X-ray Crystallography, I (1965). (The Kynoch Press, Birmingham, Eng.).

International Union of Pure and Applied Chemistry (1979). Pure Appl. Chem. M, No. 2, 407.

ISCC-NBS Centroid Color Charts, SRM 2106 (1965), or Color Kit, SRM 2107 (1977) which contains both SRM 2106 and Color, an NBS Special Publica tion #SP 440. These can be obtained from the National Bureau of Standards, Office of Stan dard Reference Materials, Washington, DC 20234. Current prices will be quoted on re quest.

Palache, C., Berman, H., and Frondel, C. (1944). Dana * s System of Mineralogy (John Wiley and Sons, New York, 7th Ed.), I, 6.

Smith, G. S. and Snyder, R. L. (1979). J. Appl. Crystallogr. 12, 60.

Standard Reference Material 640 (1974), SiliconPowder X-ray Diffraction Standard, obtainable from the National Bureau of Standards, Office of Standard Reference Materials, Washington, DC 20234. Current price will be quoted on request.

Swanson, H. E., Morris, M. C., and Evans, E. H. (1966). Natl. Bur. Stand. U.S. Monogr. 25, Sec. 4, 3.

Visser, J. W. and de Wolff, P. M. (1964). "Abso lute Intensities," Report 641.109, Technisch Physische Dienst, Delft, Netherlands.

Visser, J. W. (1969). J. Appl. Crystallogr. 2, 89.

Wolff, de, P. M. (1968). J. Appl. Crystallogr. ]., 108.

Aluminum Iron, AIFe

SynonymIron aluminum

CAS registry no. 12042-17-0

SampleThe sample was obtained from the Metallurgy Section of the National Bureau of Standards. It had been heated to 800 C for 5 days and cooled to room temperature in 4 days.

ColorDark gray

StructureCubic, Pm3m (221), 2=1. The structure was determined by Bradley and Jay [1932].

Lattice constant of this sample

a = 2.8954(2) A

Volume 0 24.274 A3

Density(calculated) 5.666 g/cm3

Figure of meritF 10 = 52.9(0.017,11)

Additional patternPDF card 1-1257 [Hanawalt et al. 1938)

ReferencesBradley, A. J. and Jay, A. H. (1932). Proc. Roy. Soc. Ser. A, 136, 210.

Hanawalt, J. D., Rinn, H. W., and Frevel, L. K. (1938). Ind. Eng. Chem. Anal. Ed. 10, 457.

CuKor- \

Internal

d(A)

22111

11

.899

.048

.6722

.4472

.2949

.1820

.0238

.9650

.9157

.8358

= 1.540598

standard

T rel

a = 2

8100

3132

248194

oA;

W, a

temp= 3

25 1 C

16524 A

hk£ 26( )

11122

22332

01101

12012

00100

10002

30.44.54.64.73.

81.97.

105.114.134.

8218863201

3459925433

Ammonium Cerium Nitrate, (NH4 )2 Ce(N03 ) 6

SynonymDianwnonium hexanitratocerate


SampleThe sample was obtained from the Fisher Scientific Co., Fair Lawn, NJ. The material is a strong oxidant, deliquescent, and unstable, causing some inconsistency in intensity measurements.

ColorUnground, vivid orange Ground, vivid yellow

StructureMonoclinic, P2i/n (14), 2=2. The structure was determined by Beineke and Delgaudio [1968].

Lattice constants of this sample

a = 13.069(3) A b = 6.8461(12) c = 8.1732(16) P = 91.36(2)

a/b = 1.9090 c/b = 1.1938

Volume 0 731.06 A3


Figure of meritF30 = 42.9(0.016,43)

ReferenceBeineke, T. A. and Delgaudio, J. (1968). Inorg. Chem. 7, 715.

CuKa- A

Internal

d(A)

7.6.6.6.5.

4.4.4.4.4.

00875407248

902849731122064

= 1.540598

standard

i rela = 6

10075587872

653

3846

oA;

Si,

tempa = 5

25 1 C

43088 A

hk£ 26( )

-11210

-112

-22

00011

11111

11001

11011

1212131416

1818182121

.63

.88

.53

.59

.88

.08

.28

.74

.54

.85

d(A)

3.8793.8073.6763.5113.408

3.375M3.375M3.3283.2693.160

3.1163.0683.0322.9462.852

2.7912.757M2.757M2.7032.654

2.6232.579M2.579M2.566M2.566M

2.5452.4712.4472.4412.421

2.3772.3642,3432.3352.285

2.2792.2602.2482.1972.177

2.1322.1102.0982.077M2.077M

2.0602.0312.021+2.021+2.000

a = ±6

65

279

26

23

631L

2328

915

1

96

1111

813

17

1111232123

22231511

8

66

1567

3151010

71233

11

-3330

-1

-31340

-2224

-2

-4-3

431

0-4-1-3

1

35

-252

-242

-33

-44106

0-1

125

-44

-536

hkJK

00111

11102

11212

11110

20222

20212

12100

22330

22232

22231

11022

12101

22001

12123

22212

11202

30333

11010

33310

22101

26(°)

22.9123.3524.1925.3526.13

26.3926.3926.7727.2628.22

28.6229.0829.4430.3131.34

32.0432.4532.4533.1133.75

34.1634.7634.7634.9434.94

35.2436.3336.6936.7937.10

37.8138.0438.3938.5339.40

39.5139.8640.0841.0441.44

42.3742.8343.0943.5343.53

43.9244.5744.8044.8045.30

Ammonium Cerium Nitrate» (NH4 ) 2 Ce(N03) 6 - (continued)

d(A)

11111

11111

11111

11111

11111

111

.978

.965M

.965M

.941M

.941M

.929M

.929M

.901M

.901M

.864M

.864M

.836

.829M

.829M

.818

.800+

.800+

.770M

.770M

.7484

.7135

.7096

.7026

.6835

.6671

.6615+

.6615+

.6557

x rel

a = 6

810

5

10

8

4

68

10

10

8

6

43245

9

5

hkil

4-31

-1-6

1-3325

26

-7-44

-4-6340

4-4-22

-5

4-72

13310

12230

12033

22123

03232

114

31242

43323

40111

31433

42433

420

' 26( )

4546464646

4747474748

4849494950

5050515152

5353535455

555555

.83

.15

.15

.76

.76

.07

.07

.82

.82

.83

.83

.61

.83

.83

.14

.68

.68

.59

.59

.28

.43

.56

.80

.46

.04

.24

.24

.45

Ammonium Tin Fluoride, NH4SnF3

SynonymsAmmonium fluorostannite Ammonium tin trifluoride Ammonium trifluorostannate

SampleThe sample was obtained from ICN Pharmaceu- ticals, Inc., Plainview, NY.

ColorPale yellow green

Optical dataUniaxial O) N£ = 1.564, NQ = 1.536

StructureHexagonal, R*, Z = 6. The cell was measured on a single crystal diffractometer by V. Himes at NBS. The value of Z was assumed from the reported density. Donaldson and O'Donoghue [1964] reported this phase as being orthorhombic.


a = 6.8426(9)A c = 15.925(3)

c/a = 2.3273

Volume 0 645.73 A3



Additional patternPDF card 16-747 [Donaldson and O'Donoghue, 1964J

ReferenceDonaldson, J. D. and O'Donoghue, J. D. (1964). J. Chem. Soc. 1964, 271.

CuKcr 1 A

Internal

d(A)

5.5595.3114.7593.4223.305

2.9132.8772.6552.3772.217

2.1702.1542.1242.0971.975

1.9511 . 88651.85151.83261.8045

1.71021.65301.63571.62881.5959

1.58541.53761.51881.48781.4376

1.4064

- 1.540598

standard

I"1

a = 5

49100178470

20541L

5016

51

171417

3917163

15

9878

17

33962

6

oA;

Si,

10011

01002

21113

20310

22122

31112

0

temp,

a = 5

hk£

00110

21021

02010

11022

20321

00322

1

13204

13641

52760

48357

08137

610486

11

25 1 C

.43088 A

29( )

15.9316.6818.6326.0226.96

30.6731.0633.7337.8140.66

41.5941.9042.5343.1045.92

46.5048.2049.1749.7150.54

53.5455.5556.1956.4557.72

58.1460.1360.9562.3664.80

66.42

Arsenic Bromide, AsBr3

SynonymArsenic tribromide

GAS registry no. 7784-33-0

SampleThe sample was obtained from the Alfa Prod ucts, Thiokol/Ventron Division, Danvers, MA. The compound decomposed rapidly in the atmo sphere. Therefore, both experimental and calculated intensities are reported. Both gave the same 6 strongest lines, but their order was different. The calculated in tensities are based on Trotter's structure.

ColorColorless

StructureOrthorhombic, P2 12 12 1 (19), 2=4. The structure was determined by Trotter [1965] and Singh and Swaminathan [1967].


a = 10.240(3) Ab = 12.182(2)c = 4.3226(9)

a/b = 0.8406 c/b = 0.3551

Volume 0 539.22 A3



ReferencesSingh, A. K. and Swaminathan, S. (1967). Z. Kristallogr. Kristallgeometrie Kristall- phys. Kristallchem. 124, 375.

Trotter, J. (1965). Z. Kristallogr. Krist allgeometrie Kristallphys. Kristallchem. 122, 230.

CuKcfj \ = 1.540598 A; temp.

Internal standard W, a = 3.

dobs

7.6.5.5.4.

8509242128719

Jobs

1L306148

'calcpeaks

5343

1912

25 1 C

16524 A

hkA 26 . obs

10122

12201

00000

11.14.16.17.18.

2653902879

obs

4.0773.9803.9173.7833.527

3.3353.2903.185M3.185M3.043

2.9742.9602.9042.8432.680

2.616M2.616M2.562M2.562M2.504

2.4192.3702.2732.2372.202M

2.202M2.167M2.167M2.1622.122

2.0782.0372.0111.991M1.991M

1.9831.961M1.961M1.9411.936

1.8921.8881.8751.8491.838

1.8261.8081.8051.7851.763

1.74531.72941.7159

Jobs

1210106525

141835

100

7040655510

12

25

10

2012486

18

185

256

1210

1520

812

886148

616146

35

65258

I calc peaks

181611

10025

122053

48

76-

785010

9

22

9

146374

17

162

13384

1012

-9

6-3

133

39-4

27

47123

h

01210

13220

30213

33244

11334

24400

10312

32454

22150

31340

321

k£

10212

21134

23230

13301

45430

51305

52460

55423

26306

06144

667

11011

10100

01111

10100

10011

01021

12102

01001

20211

21212

010

28 , obs

21.7822.3222.6823.5025.23

26.7127.0827.9927.9929.33

30.0230.1730.7631.4433.41

34.2534.2535.0035.0035.83

37.1437.9339.6240.2940.96

40.9641.6441.6441.7542.56

43.5244.4445.0545.5245.52

45.7246.2746.2746.7646.90

48.0548.1548.5149.2349.55

49.8950.4250.5151.1251.82

52.3852.9053.35

- Calc. peak unresolved

Barium Aluminum Titanium Oxide, . 2 3A1 2

SampleThe requisite materials were ground up in the ratio of 1m BaO, 1m A1 203 and 4.5m Ti02 , heated at 800 C for 26 hrs at 1000 C for 5 days and at 1200 C for 7 days with periodic grindings.

ColorGrayish white

StructureTetragonal, I4/m (87), Z = 1. The compound is of the hollandite structure type. Its unit cell was determined by Roth [1981] on the basis of a related hollandite type phase, whose structure was determined by Sinclair et al. [1980].


a = 9.9619(5) A c = 2.9242(3)

c/a = 0.2935

Volume 0 290.20 A3



ReferencesRoth, R. S. (1981) private communication.

Sinclair, W., McLaughlin, G. M., and Ringwood, A. E. (1980). Acta Crystallogr. B 36, 2913.

CuKcfj \

Internal

d(A)

4.9733.5243.1532.8052.490

2.4452.2282.1942.00821.9542

1.86291 . 76031.70841.66021,6462

1.57481.56311.46181.43171.4288

1.40871 . 40301.37361 . 32601.3239

1.30851.27981.26091.24131.2396

1.22241.20821.17401.17071.1581

1.13831.11361.09991.09721.0830

1.07151.03521.0135

= 1.540598 A;

standard Ag,

jrel

a = 2

321100

73

34243989

2555

202

330736

23

2165

81L322

11432

22462

1L1L5

22314

24335

44564

65016

52536

77437

48657

78968

699

temp.

3 = 4

hk£

0 02 01 00 10 0

1 12 00 12 11 0

1 14 03 00 03 1

2 02 10 21 21 1

5 00 24 11 23 1

3 00 10 23 22 1

2 22 06 01 25 0

4 14 01 00 23 1

2 20 12 1

25 1 C

.08651 A

20( )

17.8225.2528.2831.8836.04

36.7340.4541.1045.1146.43

48.8551.9053.6055.2955.80

58.5759.0563.6065.1065.25

66.3066.6068.2271.0371.16

72.1374.0175.3176.7176.84

78.1279.2282.0182.2983.39

85.1787.5388.9189.1890.67

91.9396.1698.93

10

Barium Manganese Oxide, BaMn04

SynonymBarium manganate


SampleThe sample was prepared at NBS using the procedure given by Schlesinger and Siems [1924] and Jellinek [I960].

ColorBlackish purple

StructureOrthorhombic, Pbnm (62), Z = 4, isostructural with BaS04 . The structure was studied by Jellinek [I960].


a = 7.3360(9) A b = 9.1101(12) c = 5.4982(9)

a/b = 0.8053 c/b = 0.6035

Volume 0 367.45 A3



Additional patternPDF card 1-569 [Hanawalt et al., 1938]

ReferencesHanawalt, J. D., Rinn, H. W., and Frevel, L. K. (1938). Ind. Eng. Chem. Anal. Ed. 10, 457.

Jellinek, F. (1960). J. Inorg. Nucl. Chem. 13, 329.

Schlesinger, H. I. and Siems, H. B. (1924). J. Am. Chem. Soc. 46, 1965.

CuKoL X ^Internal

d(A)

54433

33332

.716

.560

.403

.962

.870

.670

.507

.402

.164

.892

= 1.540598

standard

Trel

a = 3

2613376

3510070

10066

oA;

W, a

temp . 25 1

= 3.16524

c0

A

hk£ 26( )

10111

20212

12012

02121

00110

01011

15.19.20.22.22.

24.25.26.28.30.

4945154296

2338171889

d(A)

2.8582.8072.7502.5352.499

2.4782.3612.3532.3402.277

2.2402.2002.1742.1702.151

2.1382.1041.96421.90511.8340

1.79821.76831 . 74441.70581.7011M

1.7011M1.68381.65661.62511.6136

1.5648M1.5648M1.54221.52611.5090

1.50501.4874M1.4874M1.46161.4470

1.44311.43501.42891.41741.4119

1.3965M1.3965M1.38231.35961.3535

a = 3

31345133

29

1152

204

767553

46137

246

1333

2826

41047

22

125

53

88

910348

3

525

21021

13020

12132

20134

41114

01142

32244

41134

21453

53425

hk£

23023

11234

20413

14330

15142

25221

35203

15652

36405

22462

00211

20200

22011

21200

00320

31313

21321

22002

31011

03111

26(«)

31.2731.8632.5335.3835.91

36.2238.0938.2238.4439.55

40.2341.0041.5141.5941.96

42.2342.9546.1847.7049.67

50.7351.6552.4153.6953.85

53.8554.4555.4256.5957.03

58.9858.9859.9360.6361.39

61.5762.3862.3863.6164.33

64.5264.9365.2465.8466.13

66.9566.9567.7369.0269.38

11

Barium Neodymium Titanium Oxide, BaNd2 Ti 3010

SynonymBarium neodymium titanate

SampleStoichiometric amounts of BaO, Nd203 , and Ti02 were ground together and heated at 1200 C for one day, then at 1425 C for 6 days and finally at 1500 C for 7 days with intermittent grindings.

ColorVery pale violet

StructureOrthorhombic Amam (63) Z = 4 [Kolar et al., 1981]. The structure is pseudo-orthorhombic, but the true symmetry is monoclinic with a double "c" [Olsen et al., 1981].


a = 7.624(1) Ab = 28.164(3)c = 3.8654(6)

a/b = 0.2707 c/a = 0.1372

Volume 0 829.99 A3



Additional pattern Kola* et al. [1981]

Reference.Olsen, A., Goodman, P., and Roth, R. S. (1981). Int. Union Crystallogr. Meeting, Ottawa.

Kolar, D., Gabersfek, S., Volavsek, B., Parker, H. S., and Roth, R. S. (1981). J. Solid State Chem. 38, (2), 158.

CuKcf \ = 1.540598 A; temp. 25 1 C * o

Internal standard Si, a = 5.43088 A

d(A)

14.025.1724.6873.9943.829

3.8113.5733.5203.4203.239

3.1953.1862.9582.8142.785

2.7012.6412.6162.5872.444

2.3462.3182.2502.1342.118

2.0702.0552.0512.0121.998

1.93301.90691.8898M1.8898M1.8351

1.78731.76601.76001.75721 . 7234M

1.7234M1.71531.6935M1.6935M1.6352M

1.6352M1.61821.59791.59411.5735

I rel

a = 5

1L1L

649

18

1L11L

1413

23241001360

458795

438

4136

810105122

182112

1L

78655

549

7

2433

20

hk4

0 21 40 61 60 1

2 00 30 81 11 3

1 80 52 60 100 7

2 11 101 72 82 5

0 121 92 70 113 1

3 31 112 90 142 12

0 04 00 134 21 13

0 64 60 163 93 12

2 01 160 82 134 5

3 112 62 160 104 7

00001

01011

01001

10101

01111

11100

20101

20010

20211

12021

26( )

6.3017.1318*9222.2423.21

23.3224.9025.2826.0327.52

27.9027.9830.1931.7732.11

33.1433.9134.2534.6536.74

38.3338.8240.0442.3142.65

43.6944.0244.1245.0345.35

46.9747.6548.1148.1149.64

51.0651.7251.9152.0053.10

53.1053.3754.1154.1156.21

56.2156.8557.6457.7958.62

12

Barium Neodymium Titanium Oxide, BaNd2Ti 30 10 - (continued)

d

11111

11111

11111

11111

o(A)

.5650

.5330

.5231

.4926M

.4926M

.4797

.4476M

.4476M

.4079

.3938

.3892

.3841M

.3841M

.3569

.3421

.3327M

.3327M

.3213

.3036

.3011

a = 5

7437

77

38

1022

84

3

128

10

hk£ 26( )

01010

42300

20444

43242

1818171712

1218162014

1219140

13

418206

19

00112

00002

21021

20021

5860606262

6264646667

6767676970

7070717272

.97

.33

.76

.14

.14

.74

.30

.30

.34

.10

.35

.63

.63

.18

.05

.62

.62

.32,44.60

13

Benzidine Hydrochloride, C 12H12N2 '2HC1

Synonym(l-l-Biphenyl)-4,4-diamine dihydrochloride


SampleThe sample was obtained from Mallinckrodt Chemical Co., St. Louis, MO. Only one intensity pattern was made because the compound is carcinogenic.

ColorColorless

StructureTriclinic, PI (2), 2 = 1. The structure was determined by Koo et al. [1942].


a = 5.760(2) A b = 12.585(3) c = 4.3533(11) a = 95.55(3) P = 98.67(3) Y = 101.55(3)

a/b = 0.4577 c/b = 0.3459

Volume 0 302.86 A3



Additional patternPDF card 7-744 [Polytechnic Inst. of Brooklyn, Brooklyn, NY, 1955]

ReferenceKoo, C. H., Kirn, H. S., and Shin, H. S. (1972). Daehan Hwahak Hwoejee (J. Korean Chem. Soc.) 16, 18.

CuKa \iInternal

= 1.540598

standard

oA;

W, a

temp

= 3

. 25 1

.16524

C0

A

d(A) I rel hk£ 26( )

125444

.18

.545

.689

.648

.263

10 808

1610

0 11

-10

1 0120

0 0001

7.25 15.9718.9119.0820.82

d(A)

4.201 3.8703.7343.5833.520

3.3013.2083.1603.128M3.128M

3.0722.9872.9632.8822.848

2.7742.7032.6552.5902.567

2.5382.4742.4612.4532.444M

2.444M2.4292.342M2.342M2.249

2.1722.1502.1292.1202.104

2.0762.0562.0462.0372.012M

2.012M2.0031.9391.9179M1.9179M

1.91031.88501.87951.86361.8473M

1.8473M1.8431M1.8431M

Irel

30 6

10018

6

6452530

5014

81012

2510

268

10488

10

412

6

448

108

66

1010

2

222

22246

6

hk£

0 -1 0 10 -2

-1 1-1 -1

0 21 -10 -31 0

-1 -2

1 -21 3

-1 41 1

-2 1

0 3-1 -3

0 -42 11 2

-2 01 -41 4

-2 20 5

-1 5-2 -1

2 20 4

-2 -2

1 -50 -12 -3

-1 0-1 -1

1 50 1

-2 -30 6

-1 -5

0 52 -40 -61 -1

-1 -3

1 -61 0

-2 52 4

-2 6

-2 -4-2 1-3 1

1 1111

11111

10010

11101

11010

0101112122

02101

11122

12100

121

26(°)

21.13 22.9623.8124.8325.28

26.9927.7928.2228.5128.51

29.0429.8930.1431.0031.38

32.2533.1133.7334.6034.92

35.3336.2836.4836.6136.75

36.7536.9838.4138.4140.06

41.5441.9942.4342.6142.96

43.5644.0044.2444.4345.03

45.0345.2446.8247.3647.36

47.5648.2448.3948.8349.29

49.2949.4149.41

14

Beryllium Nitride, Be3N2


SampleThe sample was obtained from Brush Beryllium Co., Cleveland, OH. The lattice constant reported here was obtained from a thin sample on a slide smeared with high vacuum grease. The peak positions from a thick sample are shifted to lower angles result ing from the penetration of the beam owing to the unusually low absorption of the sample. For a thick sample an apparent lattice parameter of 8.150 Jt would be expected for lines below 100 20.

ColorLight gray

StructureCubic, Ia3 (206), Z = 16. The structure was determined by von Stackelberg and Paulus (1933).

Lattic constant of this sample

a = 8.1482(2)A

Volume 0 540.98 A3


PolymorphismThere is a hexagonal p-form, prepared by heating the cubic form above 1400 C.


Additional patternPDF card 4-786 [von Stackelberg and Paulus, 1933]

ReferencesEckerlin, P. and Rabenau, A. (1960). Z. Anorg. Allgem. Chem. 304, 218.

Stackelberg, von, M. and Paulus, R. (1933). Z. Phys. Chem. Leipzig B22, 305.

Internal

d(A)

4.0723.3282.3512.1782.037

1.92101.82231.73671.59741.4883

1.44041.39731.32161.25711.2281

1.20151.10881.03481.01861.0031

.9741

.9604

.9472

.9347

.9228

.8998

.8890

.8787

.8589

.8404

.8316

.8231

.8148

.8068

.7990

= 1.540598 A;

standard W, a

: rel

o = 2 '

1L17

10055

11L931L

361L2210

33241L

1L1L1L51L

1L1L1L1L4

121L1L11L

22234

44345

44656

67687

66767

88779

898

1010

temp.

= 3.

hkJ

01220

12332

43142

32504

56465

34653

44612

?.

01210

10211

03112

11101

30322

32142

41010

25 1 C

16524 A

26( )

21.8126.7738.2541.4344.43

47.2850.0152.6657.6662.34

64.6666.9171.3075.5877.69

79.7588.0196.2198.26100.34

104.52106.65108.82110.99113.18

117.76120.11122.49127.48132.87

135.71138.75141.95145.42149.21

15

Bismuth Selenide (Paraguanajuatite), Bi 2Se3


SampleThe sample was obtained from Alfa Products, ThiokoI/Ventron Division, Danvers, MA.

ColorUnground, gray metallic Ground, dark gray

StructureHexagonal, R3m (166), Z = 3, isostructural with tetradymite, Bi 2Te2S. The structure of Bi2Se3 was refined by Nakajima [1963], following earlier work by Semiletov and Pinsker [1955).


a = 4.1396(4)A c = 28.636(4)

c/a = 6.9176

Volume 0 424.97 A3



Additional patternsPDF card 12-732 [Thompson, R. M., Univ. British Columbia, Vancouver, Canada]

Gobrecht et al. [1964]

Godovikov [1962]

ReferencesGobrecht, H., Boeters, K.-E., and Pantzer, G. (1964). Z. Phys. 177, 68.

Godovikov, A. A. (1962). Zh. Strukt. Khim. 3, 44.

Nakajima, S. (1963). J. Phys. Chem. Solids 24, 479.

Semiletov, S. A. and Pinsker, Z. G. (1966). Dokl. Akad. Nauk SSSR 100, 1079.

Internal

d(A)

9.564.7773.5593.4783.205

3.1833.0402.6982.5342.386

2.2382.1062.0701.90851.8998

1.87801.78931.77821.73921.7349

1.71021.60071.59091.51911.4770

1.40291.36361.32961.31861.2667

1.22451.20191.19501.1763

= 1.540598 A;

standard Ag,

a =

7191637

4100

1L21L

269

2688

221L22

103171

71L472

4331L

1

1

00101

00100

10101

10201

21002

10010

2130

temp,

a = 4

hki

0 30 60 11 20 4

0 91 50 71 80 12

0 101 111 00 151 6

0 132 10 22 41 9

0 50 160 182 100 11

1 150 211 202 52 16

1 102 110 01 23

25 1 C

08651 A

26( )

9.2418.5625.0025.5927.81

28.0129.3633.1835.3937.67

40.2742.9243.7047.6147.84

48.4351.0051.3452.5852.72

53.5457.5357.9260.9462.87

66.6168.7970.8171.4974.91

77.9679.7280.2781.82

16

Calcium Borate, CaB204

SynonymCalcium metaborate


SampleThe sample was prepared by fusion of B203 and CaC03 using a small excess of fused B203 . The sample was quenched. Later, it was annealed in a sealed platinum tube and held at 945 C for 31 days, then quenched again.

ColorColorless

StructureOrthorhombic, Pnca (60), Z = 4. The structure was determined by Marezio et al. [1963].


a = 6.2156(5) A b = 11.607(13) c = 4.2828(6)

a/b = 0.5355 c/b = 0.3690

Volume 0 308.98 A3


PolymorphismCalcium borate crystallizes in 4 forms, depending on the pressures used in its synthesis. Form I, described here, exists up to pressures of 12 kbars. Form II occurs at pressures of 12-15 kbars, form III at 15-25 kbars, and form IV at 25-40 kbars [Marezio et al., 1969].


Reference intensityI/I . = 1.11(2) corundum

Additional patternsPDF card 18-281 [Stojanovic,Inst. for Refrac tories, Kraljevo, Yugoslavia]

PDF card 23-407 [Fletcher et al., 1970]

Morris et al. [1978]

ReferencesFletcher, B. L., Stevenson, J. R., and Whitaker, A. (1970). J. Amer. Ceram. Soc. 53, 95.

Marezio, M., Plettinger, H. A., and Zachariasen, W. H. (1963). Acta Crystallogr. 16, 390.

Marezio, M., Remeika, J. P., and Dernier, P. D. (1969). Acta Crystallogr. 25B, 965.

Morris, M. C., McMurdie, H. F. , Evans, E. H., Paretzkin, B., de Groot, J. H., Weeks, B., and Newberry, R. J. (1978). Natl. Bur. Stand. U.S. Monogr. 25, Sec. 15, 136.

CuKor X

Internal

d(A)

5.8093.3723.1093.0022.902

2.8722.7392.6072.3082.241

2.1402.1202.0402.0091.938

1.91071.90091.86041.84201.7641

1.74381.72341.69591.68721.6804

1.64241.60481.56891.55331.5465

1.53391.50661.5006M1.5006M1.4770

- 1.540598 A

standard Ag

jrel

a = 2

153818

10016

1212271

10

252038

36

663

263

43256

611L11

18

11

1L

>

»

01220

02121

02001

12232

20123

22340

22413

temp

a =

hk£

21014

32324

04525

24510

14623

63407

64271

4

01000

10111

20121

21012

22121

02101

12012

25 1 C

08651 A

20(0)

15.2426.4128.6929.7430.79

31.1232.6734.3738.9940.21

42.2042.6244.3845.0846.83

47.5547.8148.9249.4451.78

52,4353.1054.0354.3354.57

55.9457.3758.8159.4659.75

60.2961.5061.7761.7762.87

17

Calcium Borate, CaB204 - (continued)

d(A)

1.45381.4418M1.4418M1.37011.3393

1.31431.30911.30361.23921.2365

1.22921.2114M1.2114M1.19121.1874

1 . 1694M1 . 1694M1.16081.15391 . 1409

1.0877M1.0877M1.0607M1.0607M1.0359M

1.0359M1.03181.0197

a = 2

11

1L1

13511

24

53

2

221

1

4

1

1L3

33440

21234

44125

35045

12346

566

hk*

52343

83675

26991

12

1043

910980

312

12003

03211

20101

31021

20100

200

20( )

63.9964.5964.5968.4270.22

71.7672.0972.4476.8777.07

77.6178.9778.9780.5880.89

82.4082.4083.1583.7684.93

90.1890.1893.1493.1496.08

96.0896.5898.12

18

Calcium Cyanamide, CaCN2


SampleThe sample was from Alfa Products, Thiokol/ Ventron Division, Danvers, MA. The sample contained some graphite and the intensities may be somewhat in error.

Color Black

StructureHexagonal, R3m (166), Z = 3. The structure of CaCN2 was discussed by Bredig [1942] and Dehlinger [1942]. It was determined by Vannerberg [1962].


a = 3.6961(6) A c = 14.743(3)

c/a = 3.9888

Volume 0 174.42 A3



Additional patternsPDF card 16-685 [Vannerberg, 1962]

ReferencesBredig, M. A. (1942). J. Am. Chem. Soc.64. 1730.

Dehlinger, U. (1942). Z. Kristallogr. Kristallgeometric Kristallphys. Kristallchem.65. 286.

Vannerberg, N-G. (1962). Acta Chem. Scand. 16, 2263.

CuKa 1 X

Internal

d(A)

4.9162.9362.4572.4162.170

1.8481.7591.7301.63891.5964

1.56481.47641.46861.40601.3390

1.27421.22881.19421.14911.1192

= 1.540598

standard

I-1

a = 4

20100

42321

287613

72233

11411

0

A;

Si,

00010

11100

21021

00121

temp.

a = 5

hk£

0 31 20 60 41 5

1 00 71 30 91 8

0 21 62 40 50 10

2 70 122 21 42 5

25 1 C

.43088 A

26( )

18.0330.4236.5437.1941.58

49.2651.9452.8756.0757.70

58.9862.9063.2766.4470.24

74.3977.6480.3484.1986.98

19

Calcium Iron Oxide, CaFe2 04

SynonymCalcium ferrate


SampleThe sample was prepared from stoichiometric amounts of CaC03 and Of-Fe203, blended by grinding in an agate mortar. Initial heat treatments at 600 , 800 , and 900 C for periods of 20 hrs. were used to drive off C02 from the mixture. Successively higher heat treatments at 1050 C for 6% days and 1200 C for 13 days, with periodic grinding were performed to ensure complete reaction.

ColorUnground, dark grayish red Ground, medium brown

StructureOrthorhombic, Pnam (62), Z = 4, isomorphous with p-calcium chromite. Structure deter minations were made by Hill et al. [1956] and by Decker and Kasper [1957].


a = 9.2281(13) Ab = 10.7052(12)c = 3.0185(5)

a/b = 0.8620 c/b = 0.2820

Volume 0 298.19 A3



Additional patternsPDF card 8-100 [Hadfields, Ltd., Sheffield, England]

PDF card 19-219 [Hughes et al., 1967]

Burdese [1952]

Decker and Kasper [1957]

ReferencesBurdese, A. (1952). Ric. Sci. 22, 259.

Decker, B. F. and Kasper, J. S. (1957). Acta Crystallogr. K), 332.

Hill, P. M., Peiser, H. S., and Rait, J. R. (1956). Acta Crystallogr. 9, 981.

Hughes, H., Roos, P., and Goldring, D. C. (1967). Mineral. Mag. 36, 280.

CuKOf 1 A. = 1.540598 A;

Internal standard Si,

d(A)

5.3494.6123.4923.3292.956

2.9052.8262.7702.6752.668

2.5722.527M2.527M2.3312.314

2.305M2.305M2.2542.2362.118

2.1132.0862.0611.9991.957

1.9421.8451.8371.8321.807

1.75811.75281.7463M1.7463M1.7349

1 . 66401.63251.63011.5432

- 1.5376

1.52311.5186M1.5186M1.51501.5086M

a = 3

220924

624

85100

470

22

4

42416

203229

112374010

236

2

1022

1213

212

2738

02213

02103

11232

40414

31231

23244

31404

22436

65310

temp. 25 1 C

a = 5.43088 A

hkJB

20231

13142

42034

03132

15324

53401

56452

65360

14560

00000

10100

01100

01010

10111

01111

00011

01100

00112

26( )

16.5619.2325.4926.7630.21

30.7531.6432.2933.4733.56

34.8535.4935.4938.5938.88

39.0539.0539.9740.3142.66

42.7743.3543.9045.3446.35

46.7349.3549.5949.7250.47

51.9752.1452.3552.3552.72

55.1556.3156.4059.8960.13

60.7660.9660.9661.1261.41

20

Calcium Iron Oxide, CaFe204 - (continued)

d(A)

1.5086M. 1.4569

1.44101.4352M1.4352M

1.41151.38601.3747M1.3747M1.3708

1.34991.33811.33351.32761.3242

1.31371.30151.28501.2795M1.2795M

1.27851.26421.24871.22891.2197

1.2127

0 = 3

51L1

11L2

1

22533

141L1L2

21L111L

1L

12512

42136

10661

31276

42646

1

hk*

76320

62360

78428

24823

64524

8

01122

02211

10010

22001

12021

1

26(0)

61.4163.8464.6364.9264.92

66.1567.5368.1668.1668.38

69.5970,2970.5770.9371.14

71.8072,5873.6674.0374.03

74.1075.0876.1877.6378.33

78.87

21

Calcium Sulfate Hydrate (Bassanite), CaS04 -0.5H20

SynonymPlaster of Paris


SampleThe sample was prepared at NBS by adding H2S04 to an aqueous solution of Ca(N03 ) 2 to form CaS04 »2H20. The wet fresh material was mixed with concentrated HN03 , heated at 80 C, and held there for several days. Extremely fine crystals developed and were bottled while still moist. Just before measurements were taken, the crystals were dried in air at room temperature. The material was somewhat unstable, slowly changing to CaS04 -2H20 under conditions of high atmospheric humidity.

Consistent intensity data were difficult to obtain. The data here were measured on samples which had been side-drifted into holders, with no further packing or smooth ing. Other measurements on packed samples showed different intensities; in par ticular, the reflection at d=2.807 showed values as low as 19, and at d=1.847, the packed samples had values as low as 29.

ColorColorless

StructurePseudo-orthorhombic, I***, Z = 12. The literature on CaS04 -0.5H20 is extensive and confusing as noted by Gay [1965] and Clifton [1972]. The cell below was modified from one given by Gay [1965] who stated that the true symmetry was monoclinic, with p = 90 . This NBS cell was also consistent with one found by use of the Visser program and associated refinement procedures. Bushuev [1980] reported a similar monoclinic cell for CaS04 -0.67H20 with a=12.028, b=38.022, c=6.927, Y=90.21 , space group 12. There was no evidence to require the monoclinic cell for NBS data.


a = 12.031(4) Ab = 12.695(6)c = 6.934(2)

a/b = 0.9477 c/b = 0.5462

Volume 0 1059.1 A3


PolymorphismTwo forms, Of and p have been described by several authors, as noted by Clifton [1972], He concluded that although slight differences have been observed between the properties of the two forms, it could not be conclusively determined whether the differences were sufficiently significant to consider the supposed a and p forms as separate entities.

Figures of meritF30 = 17.6(0.017,99) M20 = 17.6

Additional patternsPDF card 24-1067 [Rowe and Bigelow, 1972, The University of Michigan]

PDF card 24-1068. The data is attributed to Weiser et al. [1936] but differs from the journal reference quoted.

Powell [1962]

ReferencesBushuev, N. N. (1980). Dokl. Akad. Nauk. SSSR 225 (No. 5), 1104.

Clifton, J. R. (1972). J. Res. Natl. Bur. Stand. Sect. A 76A, 41.

Gay, P. (1965). Mineral. Mag. 35, 354.

Powell, D. A. (1962). Aust. J. Chem. 15, 868,

Weiser, H. B., Milligan, W. 0., and Ekholm, W. C. (1936). J. Amer. Chem. Soc. 58, 1261.

CuKof 1 A

Internal

d(A)

6.004.360M4.360M4.2833.989

3.8263.6133.469M3 . 469M3.225

3.0423 . 006M3 . 006M2.807M2.807M

= 1.540598

standard

I rel

a = 4

704

21

11

54

1

15100

86

oA;

Si,

12121

30301

04221

temp

a =

hk£

02213

13001

20044

5

10110

01122

20201

25 1 C

.43088 A

26( )

14.7620.3520.3520.7222.27

23.2324.6225.6625.6627.64

29.3429.7029.7031.8631.86

22

Calcium Sulfate Hydrate (Bassanite), CaS04 -0.5H20 - (continued)

d(A)

22222

22222

22222

21111

11111

11111

1111I

11

.717M

.717M

.617

.570

.343M

.343M

.273+

.273+

.228

.184M

.184M

.139+

.139+

.117

.028

.004

.954

.909

.847M

.847M

.736

.6947M

.6947M

.6674M

.6674M

.6123M

.6123M

.5789

.5495

.5348+

.5348+

.5213

.5035M

.5035M

.4753M

.4753M

.4618

or = +4

8

111L6

5

24

22

81L

218

56

614

9

1

1L11

11L

3

1L

hk£ 20( )

42133

05434

25400

65341

66375

52356

20685

24

22314

40034

42263

01244

04400

22165

84104

42

02221

21220

21203

02323

20313

34411

04,303

44

32.32.34.34.38.

38.39.39.40.41.

41.42.42.42.44.

45.46.47.49.49.

52.54.54.55.55.

57.57.58.59.60.

60.60.61.61.62.

62.63.

9494248839

3962624631

3121216864

2044593131

6907070303

0808406225

2584646495

9560

Carbanazepine, p-C 15H 12N20

Synonyms5H-Dibenz (b, f )azepine-5-carboxamideCarbamazepenCarbazepineTegretal


SampleThe sample was the U.S. Pharmacopoeia Refer ence Standard recrystallized from benzene.

ColorColorless

Optical dataBiaxial. N = 1.600, Nft S 1.675, N = 1.745. 2V is very large.

ft P

StructureMonoclinic, P2j/n (14), Z = 4. The struc ture was determined by Himes et al. [1981].


a = 13.918(7) A b = 11.159(5) c = 7.543(4) p = 92.84(5)°

a/b = 1.2472 c/b = 0.6760

Volume 0 1170.1 A3


PolymorphismThis p-phase transforms above 180 °C to give an a-phase [De Camp, Brannon, and Maienthai, 1981].

Figure of meritF3o = 47.0(0.013,49)

IntensitiesThe crystals were long needles which oriented strongly, and the quantity was limited. Two sets of intensities are presented here. The first set was measured from only one experi mental pattern and may be distorted by orien tation. The 2nd set of I's was calculated from the structure data of Himes et al. [1981]. At 20 = 24.37, a calculated peak of intensity 3 was not observed on the experimental pattern.

ReferencesBe Camp, W. H., Brannon, W. L., and Maienthal, M. M. (1981). Manuscript in preparation.

Himes, V., Mighell, A., and De Camp, W. H. (1981). To be published in Acta Crystallogr. B37.

CuKa1 X = 1.540598 A; temp.

Internal standard Si, a = 5.

dobs

8.716.946.776.496.24

5.905.7865.6045.5765.181

4.7414.5494.4854.3464.302

4.0393.7993.7193.5933.565M

3.565M3.3813.3373.2773.259

3.2343.1223,0773.0352.988

2.9532.9002.893M2.893M2.807

2.790M2.790M2.736M2.736M2.651

2.6412.6212.566H2.566M2.503M

2.503M2.394M2.394M

Jobs

537891624

90100545715

3563123818

529365361

10397575

731L862

1L56

9

16

2

3

537

1

3

'calc peaks

611931527

4010013*5920

3941123020

726403053

8384347

582685

.-6

6

15

3

1L

447

1

3

h

12

-110

2-1101

-2202

-1

-3-3210

3-202

-1

-20

-1-24

43

-3-22

0-4-31

-5

-3-451

-2

5-5I

k£

10001

11122

11222

01231

20333

12231

23122

42340

20043

121

25 1 C

43088 A

00111

01100

11101

11102

02101

22211

00222

01101

22112

113

26obs

10.1512.7413.0713.6314.18

15.0115.3015.8015.8817.10

18.7019.5019.7820.4220.63

21.9923.4023.9124.7624.96

24.9626.3426.6927.1927.34

27.5628.5729.0029.4129.88

30.2430.8130.8830.8831.86

32.0632.0632.7032.7033.79

33.9234.1834.9434.9435.85

35.8537.5437.54

*This intensity is reported as integrated rath er than peak height, which lacked resolution.

24

Cerium Niobium Oxide, CeNb04

SynonymCerium niobate


SampleThe sample was prepared at NBS by heating Ce02 and Nb20 5 at 1000 C for 21 hours, at 1500 C for 21 hours, and at 800 C for 4 days under a high vacuum.

ColorMedium bright green

StructureMonoclinic, I2/a (15), Z = 4. The structure of CeNb04 has been determined using neutron powder diffraction by Santoro et al. [1980]. This phase had earlier been reported to be in space group Ia(5) by Komkov [1959]. CeNb04 is isostructural with other rare earth niobates and tantalates [Roth et al., 1977]. The structure is a distorted scheelite type called beta-fergusonite-(Ce) or brocenite [Kuo et al., 1975],


a = 5.5403(7) A b =11.4087(14) c = 5.1631(7) p = 94.602(13)

a/b = 0.4856 c/b = 0.4526

Volume 0 325.30 A3


PolymorphismWhen heated to about 580 C, CeNb04 undergoes a readily reversible phase change to a tetrag onal structure of the fergusonite type, very similar to scheelite, CaW04 [Gingerich and Bair, 1963].


Additional patternsPDF card 23-1047 [McCarthy, G., Pennsylvania State University, University Park, PA]

PDF card 29-402 [Kuo et al., 1973]

ReferencesGingerich, K. A. and Bair, H. E. (1963). Advan. X-Ray Anal. 7, 22.

Komkov, A. I. (1959). Sov. Phys. Crystallogr. 4, 796.

Kuo, C., Wang, I., Wang, H., Wang, C., and Hou, H. (1973). Ti Chiu Hua Hsueh (Geochimica Peking) 2, 86.

Roth, R. S., Negas, T., Parker, H. S., Minor, D. B., and Jones, C. (1977). Mat. Res. Bull. 12, 1173.

Santoro, A., Marezio, M., Roth, R. S., and Minor, D. (1980). J. Solid State Chem. 35, 167.

CuKffj X

Internal

d(A)

5.7054.9734.6973.2333.133

3.059M3.059M2.8522.7612.574

2.4622.3572.3462.308M2.308M

2.2422.08612.03432.00191.9841

1.96221.94551.91111.90171.8557

1.81121 . 72641.71141.69821 . 6840

1 . 6568M1.6568M1.63921.62141.6169

1.60871.5633M1.5633M1.5429M1.5429M

= 1.540598 A;

standard Ag,

a =

317

1007

97

311815

1L545

68

141L

27

173

2031

121

161711

1

21516

115

9

1

2

010

-11

01020

-2-10

-12

10

-122

-2100

-2

22

-1-31

3-123

-2

-101

-31

temp

a =

hk*

21123

32400

11241

45334

03462

02626

35524

23712

4.

00110

11002

12211

11210

22202

22111

02112

33023

25 1 C

08651 A

26(0)

15.5217.8218.8827.5728.47

29.1729.1731.3432.4034.83

36.4738.1538.3438.9938.99

40.1943.3444.5045.2645.69

46.2346.6547.5447.7949.05

50.3453.0053.5053.9554.44

55.4155.4156.0656.7356.90

57.2259.0459.0459.9059.90

25

Cerium Niobium Oxide, CeNb04 - (continued)

d(A)

11111

11111

11111

11111

.5291M

.5291M

.5090

.4995

.4452

.4416

.4321

.4259

.3806

.3708

. 3494M

.3494M

. 3406M

.3406M

.3228

.2992M

.2992M

.2870

.2669

.2635

I rel

a = 2

9

11L1

1L6331

2

2

1

3

455

hk£ 26( )

02

-3-2-1

-33040

-13

-121

-34023

64414

31805

73877

61086

22133

22003

22112

11401

6060616164

6465656768

6969707071

7272737475

.50

.50

.39

.82

.42

.60

.08

.40

.83

.38

.62

.62

.14

.14

.23

.73

.73

.53

.89

.13

26

Cerium Tantalum Oxide, CeTa04

SynonymCerium tantalate


SampleA 2:1 mixture of Ce02 and Ta205 was heated at 1000 C for 21% hours, next at 1400 C for 2 hours, then at 1500 C for 17 hours. It was cooled and sealed in an evacuated glass tube. It was heated again at 800 C for 6 days at a total pressure equal to or less than 2x10~6 Torr.

ColorLight olive

StructureMonoclinic, P2 x /a (14), Z = 4, with LaTa04- type structure. The structure was refined by Santoro et al. [1980]. Neutron powder diffraction techniques were used.


a = 7.7654(5)1b = 5.5294(4)c = 7.6230(6)p = 100.865(7)

a/b = 1.4044 c/b = 1.3786

Volume 0 321.45A3


PolymorphismA monoclinic to orthorhombic phase transition was observed at 820 C in vacuum [Cava et al., 1978].


Additional patternPDF card 23-148 [Bodiot, 1968]

ReferencesBodiot, D. (1968). Rev. Chim. Miner. 5, 569.

Cava, R. J., Negas, T., Roth, R. S., Parker, H. S., Minor, D. B., and Olson, C. D. (1978). In The Rare Earths in Modern Science and Technology (Plenum Publishing Corp. New York, NY), p. 181.

Santoro, A., Marezio, M., Roth, R. S., and Minor, D. (1980). J. Solid State Chem. 35, 167.

CuKa1 X

Internal

d(A)

7.5004.4784.4473.8133.742

3.6903.1383.1003.0702.966

2.7642.7472.6132.45132.3219

2.29572.27462.2388M2.2388M2.2240

2.21302.20262.08152.02231.9368

1.92791.90731.8715M1.8715M1.8525

1.84591.83371.8213M1.8213M1.8025

1.79121.77241.7679M1.7679M1.7303

1.68521.67551.65931.65411.6495

= 1.540598 A;

standard Ag,

,«ia = 4

1L58

1320

10811004210

351519123

814

9

31L7

1221

527

2

2208

4

21817

1L

113

111611

01020

-220

-2-2

02

-22

-3

-20220

-2-12

-2-4

24030

-42

-224

104

-2-2

4-420

-2

temp

a =

hk£

01100

01110

21101

01122

22220

00022

02011

31021

10333

4

10102

10212

01221

33202

12121

30403

22430

04134

13021

25 1 C

.08651 A

26( )

11.7919.8119.9523.3123.76

24.1028.4228.7829.0630.11

32.3632.5734.2936.6338.75

39.2139.5940.2540.25 <40.53

40.7440.9443.4444.7846.87

47.1047.6448.6148.6149.14

49.3349.6850.0450.0450.60

50.9451.5251.6651.6652.87

54.4054.7455.3255.5155.68

27

Cerium Tantalum Oxide, CeTa04 - (continued)

d(A)

1.64431.60281.59261.58611.5824M

1.5824M1.56551.55001.53461.5211M

1.5211M1.50771.4919M1.4919M1 . 4902

1.4414M1.4414M1.4331M1.4331M1.4066

1.39361.38221.37341.36311.3601

1.35111.32501.3134M1.3134M1.3027

1.29961.29671.29471.2764M1.2764M

1.2677M1.2677M1.25991.25301.2477

1.24471.23941.23011.22671.2160M

1.2160M1.20391.2009M1.2009M1 . 1942

I"1

a = 4

5141398

9327

62

3

3

2

1L

13122

4115

2

2224

4

514

441L31

23

1

-1-42

-44

2-20-44

-22

-234

-2-33

-43

40421

44

-20

-4

20

-224

-4-5-6-20

4-4-6-2-3

62-642

hkJfc

31320

23221

21032

13322

04224

13230

44413

12140

2301.4

04133

23112

32422

44501

52133

30240

30545

02151

53126

33361

12324

26( )

55.8757.4557.8558.1158.26

58.2658.9559.6060.2660.85

60.8561.4562.1762.1762.25

64.6164.6165.0365.0366.41

67.1167.7468.2368.8268.99

69.5271.0971.8271.8272.50

72.7072.8973.0274.2474.24

74.8474.8475.3875.8776.25

76.4776.8577.5477.8078.61

78.6179.5679.8079.8080.34

28

Cesium Magnesium Titanium Oxide, .2761

SynonymCesium magnesium titanate

SampleThe sample was prepared at NBS by mixing stoichiometric proportions of cesium, magnesium, and titanium oxides. The mixture was heated at 750 C for 18 hours, then re heated with periodic grindings at 1200 C for 5 hours. Finally, it was heated at 1200 C in a sealed platinum tube for 5 days.

ColorPale yellow

StructureTetragonal, I4/m (87), Z = 1. Roth [1981] determined by analogy that this compound is of the hollandite type structure. The structure of the related hollandite type phases was determined by Sinclair et al. [1980].


a = 10.2818(4) A c = 2.9717(3)

c/a = 0.2890

Volume 0 314.15 A3


Figure of meritF30 = 84.4(0.010,35) M20 = 128.4

ReferencesRoth, R. S. (1981) private communication.

Sinclair, W, , McLaughlin, G. M., and Ringwood, A. E. (1980). Acta Crystallogr. B36, 2913.

CuKa A.

Internal

' d(A)

7.275.1483.6363.2542.856

2.5702.4972.2992.2462.0567

2.01631.91071.81791.76351.7135

1.69121.62611.60611.48571.4692

1.45591.45401.42701.41241 . 3624

1.35021.31721.28651.27541.2667

1.24671.21151.20381.19631.1950

1.17191.14951.13531.12261.1155

1.09691.08371.06641.04401.0392

1.02891.0283

= 1.540598

standard

I rel

a = 1

12

27100

3

21825195

111567

22

22

2124

232

162

121221

261L1L3

32731

11141

22

0

A; temp.

Ag, a = 4

hkJt

1 12 02 23 11 0

4 02 14 23 03 2

5 14 14 45 36 0

4 36 25 20 06 1

1 15 52 05 46 3

7 37 04 07 23 3

8 26 66 55 17 5

7 48 49 16 08 3

6 29 39 07 65 5

6 48 6

00001

01011

01000

10121

20211

01212

00120

10021

20112

20

25 1 C

.08651 A

26( )

12.1717.2124.4627.3931.30

34.8835.9439.1540.1243.99

44.9247.5550.1451.8053.43

54.1956.5557.3262.4663.24

63.8963.9865.3466.1068.86

69.5771.5873.5674.3174.91

76.3278.9679.5780.1780.27

82.1984.1585.4586.6687.35

89.2290.6092.5095.0995.68

96.9597.02

29

Chromium Boride,


SampleThe sample was obtained from Cerac, Inc., Menomonee Falls, WI. It contained about 15% CrB as a second phase which did not interfere with the measurements.

ColorDark gray

StructureTetragonal, I4/mcm (140), Z = 4. The structure was determined by Bertaut and Blum [1953].


a = 5.4735(5) A c = 10.1156(15)

c/a = 1.8481

Volume 0 303.06 A3


Figure of meritF2 s = 53.5(0.012,38)

Additional pattern Kuz'ma et al. [1969]

ReferencesBertaut, F. and Blum, P. (1953). C. R. Acad. Sci. 236, 1055.

Kuz'ma, Yu. B., Telegus, V. S., and Kovalyk, D. A. (1969). Porosh Met. 5, 79.

d(A)

11111

11111

11111

.7306

.6858

.6378

.5597

.4352

.3162

.2901

.2714

.2643

.2498

.2445

.2354

.2237

.2078

.1491

a = 4

3010321

114323

13123

1011

hk£ 26( )

30322

43203

24433

10110

13203

11213

06256

10682

73064

5254565964

7173747576

7677787984

.86

.38

.11

.19

.92

.64

.32

.58

.07

.10

.48

.15

.02,25.19

CuKa \

Internal

d(A)

32222

21111

.073

.739

.528

.409

.380

.117

.9808

.9341

.8572

.8085

= 1.540598

standard

i rela = 4

219

142955

2310015391

oA;

Si,

temp.

a = 5

25 1 C

43088 A

hk£ 20( )

12022

12222

10001

11202

20421

43042

2932353737

4245464950

.03

.67

.48

.30

.76

.68

.77

.94

.01

.42

30

Cobalt Fluoride, CoF2

SynonymCobalt difluoride


SampleThe sample obtained from the Apache Chemical Co., Seward, IL was heated at 180 C.

ColorStrong pink

StructureTetragonal, P42/mnm (136), Z = 2, isostructural with Ti0 2 , rutile. The structure was determined by Stout and Reed [1954] and refined by Baur [1958].


a = 4.7106(3) A c = 3.1691(5)

c/a = 0.6728

Volume 0 70.322 A3


Figure of meritF 19 = 84.6(0.010,22)

Additional patternPDF card 3-409 [The Dow Chemical Co.]

PDF card 24-329 [Swanson et al., 1972]

ReferencesBaur, W. H. (1958). Acta Crystallogr. 11, 488.

Stout, J. W. and Reed, A. (1954). J. Am. Chem. Soc. 76, 5279.

Swanson, H. E., McMurdie, H. F., Morris, M. C., Evans, E. H. , and Paretzkin, B. (1972). Natl. Bur. Stand. U.S. Monogr. 25, Sec. 10, 85.

CuKa. A*•Internal

d(A)

3.3322.6312.3552.2972.1069

1.75471.66541.58441.48941.4307

1.40701.34841.31481.26621.2082

1.17761.14811.11011.0852

= 1.540598

standard

jrel

o = 3

100507

246

56179614

161214

IL733

0

A;

Ag,

11212

22031

33223

4233

temp

a =

hk£

10011

12011

01012

0231

.

4

01010

10202

11221

0202

2511 Co

.08651 A

26( )

26.7334.0538.1839.1942.89

52.0855.1058.1862.2965.15

66.3969.6871.7374.9479.22

81.7184.2887.8890.44

31

Cobalt Phosphide, Co2 P


SampleThe sample was obtained from ICN-K&K Labora tories, Plainview, NY. It contained a few percent of Co 3 (P04 ) 2 which did not interfere with measurements.

Color Black

StructureOrthorhombic, Pnam (62), Z = 4, isostructural with CogSi. The structure was determined by Nowotny [1947]. It was refined by Rundqvist [1960] who stated that there is an extended homogeneity range at elevated temperatures; the widening of the range is apparently connected with random vacancies in the metal atom sites.


a = 5.6465(8) A b = 6.6099(10) c - 3.5130(7)

a/b = 0.8542 c/b = 0.5315

Volume 0 131.11 A3



Additional patternPDF card 6-0595 [Nowotny, 1947]

ReferencesNowotny, H. (1947). 2. Anorg. Allg. Chem. 254, 31.

Rundqvist, S. (1960). Acta Chem. Scand. 14, 1961.

CuKa- X

Internal

d (A)

3.3092.8542.8262.7192.214

2.2012.1472.0882.0531.8675

1.83261.81021.77151.75621.7370

1.65241.63541.60941.58561.5573

1.43091.38021.35961.33421.2981

1.28671.28441.26051.23711.2350

1.21811.1969M1.1969M1.17081.1336

1.08331.0816+1.0816+1.06111.0339M

1.0339M

= 1.540598

standard \

a = +2

3546

100

6911713326

823192911

817426

21174

23657

1L9

61

46

76

oA;

tf, a

01211

22210

23102

03312

34214

14302

42332

13250

3

temp. 25 1

= 3.16524

hid

22012

02133

21303

42143

31232

51153

25245

25013

5

I

00011

10101

10120

00101

00220

01212

10211

3031 '

3

1

C0

A

26( )

26.9231.3231.6432.9240.73

40.9742.0643.3044.0848.72

49.7150.3751.5552.0352.65

55.5756.2057.1958.1359.29

65.1467.8569.0270.5372.80

73.5573.7075.3477.0277.18

78.4580.1280.1282.2885.61

90.6490.8390.8393.0996.33

96.33

32

Copper Chloride Hydrate (Eriochalcite), CuCl 2 -2H20

SynonymCupric chloride dihydrate


SampleThe sample was obtained from the Fisher Scientific Co., Fair Lawn, NJ. The sample was somewhat hygroscopic.

ColorBrilliant bluish green

StructureOrthorhombic, Pbmn (53), Z = 2. The struc ture was determined by Harker [1936] and refined by Engberg [1970].


a = 7.4164(6) Ab = 8.0926(6)c = 3.7494(4)

a/b = 0.9164 c/b = 0.4633

Volume 0 225.03 A3



Additional patternPDF card 13-145 [Inst. of Physics, Univ. College, Cardiff, Wales]

ReferencesEngberg, A. (1970). Acta Chem. Scand., 24, 3510.

Harker, D. (1936). Z. Kristallogr. Kristall- geometrie Kristallphys. Kristallchem. A93, 136.

Internal

d(A)

5.4674.0503.7503.7083.346

3.0932.7342.6382.5782.534

2.3652.20882.10042.06392.0240

2.00071.87441 . 85431.83891.8220

1 . 78081.77401.73121.70051.6860

1.67301.66241.65791.6389M1.6389M

1.60481.58171.50701.49391.4686

1.45871.45691.44521.40151.3671

1 . 36001.3538

= 1.540598

standard

i rela = 4

10056116

21

4014821817

929135

22

1751456

49529

5366

235333

84567

32

oA;

W, i

10021

12211

32130

30433

01104

24132

21133

51334

53

temp

i = 3

hk£

12000

12023

12304

10023

41422

00231

45301

15424

15

. 25 1

.16524

00101

10110

01110

12010

12120

21212

10222

01120

10

c0

A

28( )

16.2021.9323.7123.9826.62

28.8432.7333.9634.7735.39

38.0240.8243.0343.8344.74

45.2948.5349.0949.5350.02

51.2651.4752.8453.8754.37

54.8355.2155.3756.0756.07

57.3758.2961.4862.0863.27

63.7563.8464.4266.6868.59

69.0069.36

33

lodoform, CHI 3

SynonymTriiodomethane


SampleThe sample was obtained from Merck and Co., Inc., Rahway, KJ.

ColorBrilliant yellow

StructureHexagonal, P63 (173), 2=2. The structure was determined by Huggins and Noble [1931].


a = 6.8195(5) A c = 7.565(1)

c/a * 1.1093

Volume 0 304.68 A3

Density(calculated) 4.292 g/cms


Additional patternPDF card 2-329 [Crystallographic Laboratory, Cambridge, England]

ReferenceHuggins, M. L. and Noble, B. A. (1931). Am. Mineral. 16, 519.

d(A)

11111

11111

11111

11111

1

.6535

.6381

.6010

.5540

.5033

.4492

.4431

.4122

.3831

.3734

.3636

.3550

.3467

.3338

.2888

.2755

.2744

.2707

.2606

.2382

.2201

o = 3

32323

22232

311L21L

1131L1L

1

13323

42213

33234

34403

4

hk£

11121

01211

02021

20101

1

40122

14353

40510

23164

2

2

5556575961

.0

.53

.10

.52

.43

.65

64.2264666768

6869697073

7474747576

78

.52

.11

.69

.23

.79

.29

.78

.55

.41

.30

.38

.63

.33

.94

.30

CuKa X

Internal

d(A)

4.6503.7813.4093.1072.751

2.5312.3202.2302.02701.9674

.9222

.8913

.7456

.7049

.6629

= 1.540598

standard W

I rel

a = 3

113918

1007

1616

2211

73

1219

0

A;

> '

10112

11213

20322

tei

i =

hkJ

00110

10110

10022

up. 25 1

3.16524

I

12011

23030

24201

CoA

2e( )

19.0723.5126.1228.7132.52

35.4438.7840.4144.6746.10

47.2548.0752.3753.7255.19

34

Iron Boride, FeB


SampleThe sample was obtained from Cooper Metal lurgical Associates, Cleveland, OH.

ColorUnground, shiny metallic gray in chunks Ground, olive gray

StructureOrthorhombic, Pbnm (62), Z = 4. The structure was determined by Bjurstrom and Arnfelt [1929].


a = 4.0587(3)A b = 5.5032(5) c = 2.9474(3)

a/b = 0.7375 c/b = 0.5336

Volume 0 65.833 A3


Figure of meritF2 9 = 79.0(0.009,39)

IntensitiesOwing to the difficulty of getting repro ducible intensities, a comparison between experimental intensities and those calcu lated on the basis of the structure given in Pearson [1967] was made. In the calculated pattern, the four strongest lines were: 2.188(100), 1.904(67), 2.384(65), 2.011(65).

Additional patternPDF card 3-957 [Bjurstrom]

ReferencesBjurstrom, T. (1933). Ark. Kemi Mineral. Geol. 11A.

Bjurstrom, T. and Arnfelt, H. (1929). Z. Phys. Chem. B4, 869.

Pearson, W. B. (1967). A Handbook of Lattice Spacings and Structures of Metals and Alloys, Vol. 2, (Pergamon Press Ltd., Oxford, England) p. 409.

CuKofj X

Internal

d(A)

3.2692.7522.3842.27682.1888

2.01161.90431.80181.67161.6335

1.59951.47361.45421.34351.3030

1.29931.24661.23741.23541.2297

1.21411.19991.19171.16531.1224

1.10541.08891.0621M1.0621M1.0147

= 1.540598 A

standard W,

i rela = 4

1632503372

1006728335

272233

10

61716258

5124

229

974

6

»

a

10111

02112

20111

00123

33123

13124

temp

= 3

hk£

12021

21232

10314

24230

21412

33540

. 25 1

.16524

00101

10100

12120

21211

01121

20010

coA

26( )

27.2632.5137.7139.5541.21

45.0347.7250.6254.8856.27

57.5863.0363.9769.9772.48

72.7276.3377,0077.1577.57

78.7679.8880.5482.7686.68

88.3590.0592.9892.9898.78

35

Iron Fluoride, FeF3

SynonymFerric fluoride


SampleThe sample was obtained from Alfa Products, Thiokol/Ventron Division, Danvers, MA. It was dried at 140 for 2-3 hours.

ColorPale yellow green

StructureHexagonal, R3c (167), Z = 6. The structure was determined by Hepworth et al. [1957].


a = 5.200(1) A c = 13.323(2)

c/a = 2.5621

Volume 0 311.94 A3



Additional patternPDF card 2-0327 [Ebert, 1931]

ReferencesEbert, F. (1931). Z. Anorg. Chem. 186, 398.

Hepworth, M. A., Jack, K. H., Peacock, R. D., and Westland, G. J. (1957). Acta Crystallogr. 10, 63.

o CuKof X = 1.540598 A;-«-Internal

d(A)

3.7312.6782.6022.2442.133

1.86641.6889M1.6889M1.64861.5619

1.51571.50111.43461.33861.2996

1.28611.27771.26901.2434M1 . 2434M

1.22761.19021.1692

standard

I rel

a = 1

100157

142

2121

103

65152

1312

521

Ag,

01112

01210

23122

11231

311

temp.

a =

hk£

10110

21121

10202

10103

123

4.

24032

46128

40580

910761

284

25 1 C0

08651 A

20( )

23.8333.4334.4440.1542.34

48.7554.2754,2755.7159.10

61.0961.7564.9570.2672.70

73.5974.1574.7576.5676.56

77.7380.6682.42

36

Iron Oxide (Hematite), orFe2 03

SynonymsIron sesquioxide Diiron trioxide Ferric oxide


SampleThe sample was obtained from Pfizer, Inc., New York, NY. It was heated at 800 C for 3 days.

ColorDark reddish brown

StructureHexagonal, R3c (167), Z = 6. The structure was determined by Pauling and Hendricks (1925) and refined by Blake et al. (1966). It is isostructural with Of-A^Oa, corundum.


a = 5.0356(1) A c = 13.7489(7)

c/a = 2.7303

Volume 0 301.93 A3



PolymorphismThree other forms of this compound have been reported. Delta-Fe 203 crystallizes in a hexagonal form. Maghemite, "Y'^^Os has been reported in both a cubic and a tetragonal form.

Reference intensityI/I , = 2.60(1) corundum

Additional patternsPDF card 13-534 [Aravindaksman and All, Council of Sci. and Indust. Res., Central Fuel Res. Inst., Binat, India]

PDF card 24-72 [Smith et al., Perm. State U., University Park, PA]

ReferencesBlake, R. L., Hessevick, R. E., Zoltai, T., and Finger, L. W. [1966]. Am. Mineral. 51, 123.

Pauling, L. and Hendricks, S. B. [1925]. J. Amer. Chem. Soc. 47, 781.

CuKa 1 \ = 1.540598 A;

Internal standard Ag,

d(A)

32222

21111

11111

11111

11111

11

.684

.700

.519

.292

.207

.0779

.8406

.6941

.6367

.6033

.5992

.4859

.4538

.3497

.3115

.3064

.2592

.2276

.2141

.1896

.1632

.1411

.1035

.0768

.0557

.0428

.0393

.9892

.9715

.9606

.9581

.9516

.9318

.9206

.9081

.8998

.8954

.8789

.8648

.8543

.8436

.8392

.8089

.8014

0 = 2

30100713

22

3394715

1030303

10

68425

57727

1L341L5

45225

13613

5344

temp. 25 1 C

a = 4.08651 A

hk£ 26 ( )

01101

20121

02321

12321

01202

14323

04401

32424

1332

10101

02112

11000

12022

23241

10122

11143

00130

2324

24063

24612

8408

10

90638

10462

10

124894

14038

10

121468

10

140

104

2433353940

4349545657

5762636971

7275777880

8284889193

9595102104106

107108111113116

117118122125128

131133144147

.14

.15

.61

.28

.86

.52

.48

.09

.15

.43

.59

.45

.99

.60

.94

.26

.43

.73

.76

.71

.94

.92

.54

.35

.71

.24

.66

.29

.92

.63

.03

.09

.51

.60

.04

.75

.69

.44

.94

.77

.87

.24

.44

.96

37

Iron Yttrium Oxide, Fe5Y3 0 12

SynonymsYIG, Yttrium iron garnet, Diiron triyttrimn trisferrate,


SampleThe sample was obtained from Trans-Tech, Inc., Gaithersburg, MD.

ColorMedium olive

StructureCubic, Ia3d (230), Z = 8, garnet structure. The structure was refined by Euler and Bruce [1965] following earlier determinations [Geller and Gilleo, 1957; Batt and Post, 1962].


a = 12.3774(2) A

Volume 0 1896.22 A 3


PolymorphismShimada et al. [1968] reported the existence of a dense allotropic form.


Reference intensity

Additional patternPDF card 27-977 [B. Greenberg (1966). Poly technic Institute of New York, Brooklyn, NY]

ReferencesBatt, A. and Post, B. (1962). Acta Crystallogr. 15, 1268,

Euler, F. and Bruce, J. A. (1965). Acta Crystallogr. 1.9, 971.

Geller, S. and Gilleo, J. (1957). J. Phys . Chem. Solids 3, 30.

Shimada, M. , Kume , S., and Koizumi, M. (1968). J. Amer. Ceram. Soc. 51 , 713.

CuKa1 \ = 1.540598 A;


d(A)

54332

22222

21111

11111

11111

11111

11111

11111

11111

1

.055

.377

.307

.093

.768

.639

.527

.428

.259

.188

.0082

.8261

.7870

.7171

.6840

.6544

.5718

.5469

.5236

.5013

.4791

.4589

.4382

.3840

.3506

.3345

.3194

.3047

.2764

.2503

.2255

.2138

.1801

.1492

.1395

.1300

.1026

.0940

.0691

.0612

.0387

.0314

.0242

.0173

.0107

.0039

.9845

.9608

.9383

.9330

I"1

a = 2

613

32100

2444

102

91L

14363

421

141L1L

1L1L1L8

19

161L21

1122

221L

122

101L1L

1L51L52

101L21L5

temp. 2511 C

a = 4.08651 A

hk£ 26( )

22344

34454

66467

67878

68888

96899

1010101010

10118

1110

912111211

1211111312

12202

32324

13442

43042

52344

26534

12343

42836

60425

26624

10100

22110

11401

22010

32102

14121

10103

21020

50302

21314

1720262832

3335373941

4549515354

5558596061

6263646769

7071727476

7778818485

8588899293

9596979899

100102106110111

.53

.27

.94

.84

.32

.94

.50

.00

.87

.23

.11

.90

.07

.31

.44

.50

.69

.73

.74

.74

.77

.74

.77

.64

.55

.51

.44

.37

.24

.06

.89

.78

.50

.18

.06

.95

.63

.52

.19

.08

.74

.64

.55

.43

.31

.22

.96

.59

.36

.31

38

Iron Yttrium Oxide, Fe5Y3 0 12 - (continued)

d(A)

.9277

.9225

.9175

.9125

.8933

.8624

.8582

.8501

.8422

x rel

o = 2

1L13655

23

1211

121213128

14121414

hk£

56368

3844

28( )

30228

1002

112113114115119

126127129132

.26

.23

.19

.17

.15

.56

.67

.95

.31

39

Lithium Iodide Hydrate, LiI-3H20

SynonymLithium iodide trihydrate


SampleThe sample was from ICN Pharmaceuticals Inc., Plainview, NY, It was marked "Lithium Iodide Anhydrous. 1 ' The material was hygro scopic and the intensities may be somewhat in error.

ColorLight brown

StructureHexagonal, P6 3mc (186), Z = 2. The structure of LiI-3H20 was studied by Hendricks [1928] and discussed by West [1934].

lattice constants of this sample

a = 7.4907(11) A c = 5.4859(11)

c/a = 0.7323

v/olume 0 266.58 A 3




ReferencesHanawalt, J. D. , Rinn, H. W. , and Frevel, L. K. (1938). Ind. Eng. Chem. Anal. Ed.

d(A)

2.7412.5272.4522.2382.211

2.1642.0932.0121.8721.827

1.79921.76031.71021.69851.5931

1.55521.54741.50441.46611.4362

1.41571.3956

I"1

o = 5

236

173930

14173

1315

49

289

10

10957

15

83

01221

32322

31332

42323

44

hk£

00111

00021

10100

02112

10

22012

02102

03123

12231

02

26( )

32.6435.4936.6240.2740.78

41.7143.1845.0248.6149.86

50.7051.9053.5453.9457.83

59.3859.7161.6063.3964.87

65.9367.00

Hendricks, S. B. (1928). Am. J. Sci. 15, 403.

West, C. D. (1934). Z. Kristallogr. Kristallgeometrie Kristallphys. Kristall- chem. 88, 198.

CuKa l \

Internal

= 1.540598

standard

oA;

Si,

temp

a =

5

d(A) I rel hk£

6.4.3.3.2.

50186743242793

0 = 5

7100571992

11122

00100

01001

25 1 C

43088 A

26( )

1321232732

6221754902

40

Magnesium Phosphate, a-

SynonymMagnesium pyrophosphate

SampleThe sample was prepared at NBS. The com position of a commercially available sample of magnesium phosphate (mixed phases) was adjusted with additions of (NH4 )H2P04 . The mixture was fused and resolidified to yield single phase a-Mg2P20?- After being ground, the sample was annealed at 140 C for 5 hours and slowly cooled to room temperature.

ColorColorless

StructureMonoclinic, P2 x /n (14), Z = 4. The structure was determined by Calvo [1967].


a = 8.9124(16) Ab = 8.290(2)c = 6.9492(15)p = 111.70(1)

a/b * 1.0751 c/b = 0.8383

Volume 0 477.05 A3


PolymorphismA high-temperature p-form exists and is also monoclinic, with a and c roughly half as large as in the a-phase. The phase trans formation was found to be reversible, and both phases coexist from 59 to 63 C [Calvo et al., 1967].

Figure of meritF3o = 27.6(0.016,70)

Reference intensity

Additional patternPDF card 22-1152 [Swanson et al., 1971]. This pattern on the card and in the reference both have substantial errors.

ReferencesCalvo, C. (1967). Acta Crystallogr. 23, 289.

Calvo, C., Datars, W. R. , and Leung, J. S. (1967). J. Chem. Phys. 46, 796.

Swanson, H. E., McMurdie, H. F., Morris, M. C., Evans, E. H. , and Paretzkin, B. (1971). Natl. Bur. Stand. U.S. Monogr. 25, Sec. 9, 73.

CuKa 1 \ = 1.540598 A;


d(A)

6.375.1044.3734.1493.860

3.8053.710M3.710M3.4923.181

3.008M3.008M2.965M2.965M2.929

2.8342.7952.6642.620M2.620M

2.5342.5232.4112.299M2.299M

2.2572.1492.1212.0992.071+

2.071+2.0532.011M2. OHM1.980

1.9731.9531.9321.9281.910

1.9071.8861.8731.8691.851

a = 1

233

231

31

36

100

44

3

31L14

71261

1L41L

136

34

1L

1L1L1L1L1L

1L1L668

-10101

-2120

-2

01

-2-32

2-3-113

-1-2-323

1-4-30

-4

4-3-113

03210

-3-3114

temp. 25 1 C

a = 4.08651 A

hkJE

01021

12120

12102

11231

32232

21031

01242

43232

32412

11101

10012

21210

11200

12100

21322

03301

10223

23130

26( )

13.9017.3620.2921.4023.02

23.3623.9723.9725.4928.03

29.6829.6830.1230.1230.50

31.5432.0033.6234.1934.19

35.4035.5537.2639.1639.16

39.9142.0142.6043.0643.67

43.6744.0745.0445.0445.80

45.9746.4646.9947.1147.57

47.6548.2148.5748.6849.17

41

Magnesium Phosphate, crMg2 P207 - (continued)

d(A)

1.7801.7701.74661.7364M1.7364M

1.73331.71111.6991M1.6991M1.6812

1.6579M1.6579M1.6410+1.6410+1.6373

1.62451.62141.61381.6056M1.6056M

1.58891.57521.55191.52541.5222

1.5035M1.5035M1.4825+1.4825+1.4751

1.4697M1.4697M1.46451.45461.4333M

1.4333M

o = 1

1L211

1L46

1

1L

2

1

5454

2111L12

1

2

2

4

41L1L

-1-53

-2-2

-4-4-2-3-3

-3312

-5

5-50

-50

-4123

-5

02

-6-30

-2-2453

-5

hk*

40304

32143

14410

12015

0324'2

24045

35411

1

21142

13413

40233

02431

43313

42232

42013

4

26( )

51.3051.6152.3452.6752.67

52.7753.5153.9253.9254.54

55.3755.3755.9955.9956.13

56.6156.7357.0257.3457.34

58.0058.5559.5260.6660.80

61.6461.6462.6162.6162.96

63.2263.2263.4763.9565.02

65.02

42

Manganese, p-Mn


SampleA sample of «-Mn from Fisher Scientific Co., Fair Lawn, NJ, was heated to 1065 C in vacuum and annealed for 3 hours. It contained a small amount of MnO.

ColorOlive gray

StructureCubic, P4 1>332 (212 or 213), Z = 20. The structure was determined by Westgren and Phragmen [1925].


a = 6.3116(3) A

Volume 0 251.43 A3


PolymorphismThere are also «-, Y~» aQd 6-Mn, the most probable transition temperatures being « - p, 700 C, p - Y, 1079 C, and Y J 6 1143 C [Sully, 1955],

Figure of merit^26 = 71.2(0.011,33)

Additional patternPDF card 1-1234 [Hanawalt, Rinn, and Frevel, 1938]

ReferencesHanawalt, J. D., Rinn, H. W., and Frevel, L. K. (1938). Ind. Eng. Chem. Anal, Ed. 10, 457.

Sully, A. H. (1955). Manganese (Butterworth Scientific Publications, London) p 127.

Westgren, A. and Phragmen, G. (1925). 2. Phys. 33, 777.

CuKof \

Internal

d(A)

4.4582.8232.5772.2312.104

1.99651.90391.75091.68721.5307

1.48741.44781.41151.37751.3457

1.28801.26251.23771.21461.1721

1.15261.08241.06681.05181.0377

1.0237

= 1.540598

standard

a = 3

3557

100

6227291L

61L513

32

265

19

52584

3

oA;

w,

12222

33334

33443

44555

55546

6

temp. 25+1

a = 3.16524

hkJI

11122

11221

33223

23112

23341

1

I

00101

01010

01012

20010

10120

1

C0

A

26( )

19.9031.6734.7940.3942.95

45.3947.7352.2054.3360.43

62.3864.2966.1568.0069.84

73-4675.2076.9878.7282-17

83.8790.7492.4594.1795.86

97.63

43

Molybdenum Oxide, Mo02

SynonymMolybdenum dioxide


SampleThe sample was made at NBS by H. S. Parker by heating MoC>3 in a Mo boat for 20 hours at 372 C in an atmosphere of 95% N2 and 5% H2 gases. This was followed by heating at 590 C for 90 hours under the same conditions.

Color Black

StructureMonoclinic, P2 1 /n. (14), Z = 4. Distorted rutile structure. The structure of Mo02 was studied by Magneli et al. [1952] and by Magneli and Andersson [1955]. The structure was refined by Brandt and Skapski [1967]. The latter gave the structure using the P2i/c form of the space group.


a = 5.6068(7) A b = 4.8595(9) c = 5.5373(9) P = 119.37

a/b = 1.1538 c/b = 1.1395

Volume 0 131.48 A3


Figure of meritF30 - 25.5(0.017,68)

Additional patternsPDF card 5-452 [Magneli et al., Univ. of Uppasla, Sweden]

Magne'li et al. [1952]

Brandt and Skapski [1967]

ReferencesBrandt, B. G. and Skapski, A. C. (1967). Acta Chem. Scand. 21, 661.

Magneli, A. and Andersson, G. (1955). Acta Chem. Scand. 9, 1378.

Magneli, A., Andersson, G., Blomberg, B., and Kihlborg, L. (1952). Anal. Chem., 24, 1998.

CuKof. \ = 1.540598 A; temp. 25 1 C1 0

Internal standard Si, a = 5.43088 A

d(A)

4.8053.420M3.420M2.8132.442

2.4372.4262.4032.1812.171M

2.171M2.1561.8411.7251.723

1.7111.7091.69761.60331.5443

1.5360M1.5360M1.52721.46761.4057

1.4019M1.4019M1.38451.35481.3448M

1.3448M1.33811.30331.29121.2829

1.22191.2175M1.2175M1.2146M1.2146M

1.20761.2028M1.2028M1.18371.1764

I rel

o = 6

2100

428

32693462

5112834

41332217

13

944

21

521

1551L

710

6

74

21

hkJ

-1 00 1

-1 11 02 0

1 1-2 1-2 02 10 2

-1 2-2 1-3 02 12 2

-3 1-2 2-2 1-3 0

3 1

0 3-1 30 1

-3 22 0

-2 3-4 0-2 03 00 3

1 0-3 2-4 1-4 1-3 1

4 02 32 20 41 3

-2 3-2 2-4 0

3 21 2

fc

11110

11201

12110

22330

11312

12412

33134

01202,

34413

26( )

18.4526.0326.0331.7836.78

36.8637.0337.4041.3641.57

41.5741,8749.4853.0453.11

53.5253.5853.9757.4359.84

60.2060,2060,5863.3266,46

66.6666,6667.6169.3069.89

69.8970.2972.4673.2573.80

78.1678.5078.5078.7278.72

79.2779.6579.6581.2081.81

Molybdenum Oxide, Mo02 - (continued)

d(A)

11111

11111

.1485

.1414

.1155

.1113

.0911

.0879M

.0879M

.0849

.0807

.0780

a = 6

241L26

10

848

hk£ 26( )

301

-54

2-500

-4

33402

41422

03130

02244

8484878789

9090909091

.24

.89

.35

.76

.82

.16

.16

.47

.92

.22

45

Neodymium Tantalum Oxide, NdTa04

SynonymNeodymium tantalate


SampleThe sample was prepared at NBS by heating Nd203 and Ta205 overnight at 1000 C, grinding and reheating at 1600 C for a period of 16-20 hours, and quenched.

ColorVery pale violet

StructureMonoclinic, I2/a (15), Z = 4. The structure of NdTa04 has been determined using neutron powder diffraction by Santoro et al. [1980]. This phase was earlier reported to be in space group Ia(5) by Komkov [1959]. NdTa04 is isostructural with other rare earth niobates and tantalates [Roth et al., 1977]. The structure type is a distorted scheelite called beta-fergusonite (Ce) or brocenite. [Kuo et al., 1975].


a = 5.5136(7)Ab = 11.2356(8)c = 5.1151(5)P = 95.717(11)

a/b = 0.4907 c/a = 0.4553

Volume 0 315.30 A3


PolymorphismWhen heated to about 1320 C NdTa04 undergoes a readily reversible phase change to a tetragonal structure of the fergusonite type, very similar to scheelite, CaW04 [Stubican, 1964].

Figure of MeritF30 = 101.2(0.007,41)

Additional patternPDF card 16-745 [Stubican, 1964]

ReferencesKomkov, A. I. (1959). Sov. Phys. Crystallogr. 4, 796.

Kuo, C., Wang, I., Wang, H., Wang, C., and Hou, H. (1973). Ti Chiu Hua Hsueh (Geochemica Peking) 2, 86.

Roth, R. S., Negas, T., Parker, H. S., Minor, D. B., and Jones, C. (1977). Mat. Res. Bull. 12, 1173.

Santoro, A., Marezio, M., Roth, R. S., and Minor, D. B. (1980). J. Solid State Chem. 35, 167.

Stubican, V. S. (1964). J. Amer. Ceram. Soc. 47, 55.

CuKa 1 X = 1.540598 A;


d(A)

5.6194.9303.2213.0933.006

2.8102.7452.54472.46102.3191

2.20472.18272.09252.07972.0554

2.02181.97181.96301.91301.8854

1.87301.85571.77951.69501.6912

1.6775M1.6775M1.65711.64081.6141

1.61051.6000M1.6000M1.58121.5462M

1.5462M1.54061.53071.51841.5086

o = 4

58

1005

88

2423211L1L

11128

311383

30

21

112120

3

93

10

629

24

51

123

01

-111

020

-20

11

-210

-12210

0-22

-3-1

-201

-12

-23

-112

-31010

temp. 25 1 C

a = 5.43088 A

hk*

21232

40012

41355

33434

62026

51655

42256

17726

00101

00212

12101

21022

02211

13121

21320

20132

26( )

15.7617.9827.6728.8429.70

31.8232.6035.2436.4838.80

40.9041.3343.2043.4844.02

44.7945.9946.2147.4948.23

48.5749.0551.3054.0654.19

54.6754.6755.4056.0057.01

57.1557.5657.5658.3159.76

59.7660.0060.4360.9761.41

46

Neodymium Tantalum Oxide, NdTa04 - (continued)

d(A)

1.5030M1.5030M1.4342M1.4342M1.4181

1.40421.40151.37151.3545M1.3545M

1.33451.32241.30661.30181.2895M

1.2895M1.27261.2609

jrel

a = 4

8

5

1

2141

311L23

66

2-33

-13

0-24

-20

-1-1112

-30

-4

hki

44445

83075

78876

600

21130

03013

21122

142

20(0)

61.6661.6664.9764.9765.80

66.5466.6868.3469.3269.32

70.5171.2572.2572.5673.36

73.3674.5075.31

47

Neodymium Titanium Oxide, Nd2Ti05

SynonymNeodymium titanate


SampleThe sample was obtained from Alfa Products, Thiokol/Ventron Division, Danvers, MA. The material was heated at 1450 C for 5% days, then reheated at 1550 C for 6\ days in a platinum crucible. Material appears to be slightly rich in Ti02 .

ColorPale blue

StructureOrthorhombic, Pnam (62), Z = 4, isostructural with La2Ti05 . The structure of Nd2Ti05 was determined by Miiller-Buschbaum and Scheunemann (1973).


a = 10.7251(9) Ab = 11.3407(10)c = 3.8457(4)

a/b = 0,9457 c/b = 0.3391

Volume o 467.75 A3

Density(calculated) 5,913 g/cm3


ReferencesMiiller-Buschbaum, Hk, and Scheunemann, K. [1973]. J. Inorg. Nucl. Chem. 35, 1091.

Internal

d(A)

7.785.6695.3595.0104.847

3.8953.6423.5663.4493.409

3.1263.0893.0513.0233.014

2.8362.7432.7362.6952.683

2.6162.6092.5982.5502.4082

2.37632.21872.15882.15292.1078

2.10042.05102.00701,94781.9233+

1.9233+1.90091.89011.86501.8607

1.84831.83541.82061.79551.7873M

= 1.540598 A;

standard W, a

a = +3

1556

119

75

2585

10076132117

344

4119

19181361

1099164

61135

26

4268

16

81223

10212

20113

22132

01204

14332

31435

24543

04051

52016

temp. 25 1

= 3.16524

hkJ

12021

21311

03221

44230

31313

25131

42244

03636

15220

i

00000

0i010

10101

00110

10011

10110

11001

21000

11220

C o A

26( )

11.3615.6216.5317.6918.29

22.8124.4224.9525.8126.12

28.5328.8829.2529.5229.62

31.5232.6232.7033.2133.37

34.2534.3434.5035.1637.31

37.8340.6341.8141.9342.87

43.0344.1245.1446.5947.22

47.2247.8148.1048.7948.91

49.2649.6350.0650.8151.06

48

Neodyraium Titanium Oxide, Nd2Ti05 - (continued)

d(A)

1 . 7873M1.77851.76571.73761 . 7248

1.71501.71051 . 70491.69271.6758M

1.6758M1.67101.63201.62271.6164M

1.6164M1.60461.59161.57871.5745

1.5626M1.5626M1.5588M1.5588M1.5481

1.5448M1.5448M1.53231.51841.5121

1.49321.4787M1.4787M1.45381.4445M

1.4445M1.43841.4206M1.4206M1.4181M

1.4181M1.40701.40421.38801.3807

1.37771.3685

a = 3

10242

9756

18

8231113

8121

7

6

6

8

752

24

51

33

3

4333

33

25642

35611

33236

26041

54654

34376

07135

42575

06657

34

bk*

12142

54236

16323

61454

40251

36614

72745

37136

84522

74

21012

10021

20220

11212

12102

20100

10121

21200

01021

12

26( )

51.0651.3351.7352.6353.05

53.3853.5353.7254.1454.73

54.7354.9056.3356.6856.92

56.9257.3857.8958.4158.58

59.0759.0759.2359.2359.68

59.8259.8260.3660.9761.25

62.1162.7962.7963.9964.45

64.4564.7665.6765.6765.80

65.8066.3966.5467.4267.82

67.9968.51

49

Neodymium Titanium Oxide, Nd2Ti 207



SampleThe sample was prepared at NBS by solid state reaction of stoichiometric amounts of Nd203 and Ti02 . The mixture was heated at 1200 C for 1 day, then ground and heated at 1425 C for 6 days.

ColorUnground, light violetGround, very light purplish blue

StructureMonoclinic, P2 l (4), Z = 4. [Kimura et al., 1974].


a = 13.008(2)A b = 5.4648(7) c = 7.679(2) p = 98.56(2)

a/b = 2.3803 c/b = 1.4052

Volume 0 539.79 A3



Additional patternPDF card 29-923 [Smith, C. and McCarthy (1977). Pennsylvania State Univ., University Park, PA)

ReferenceKimura, M., Nanamatsu, S., Kauamura, T., and Matsushita, S. (1974). Jpn. J. Appl. Phys. 13, 1473.

CuKa \ iInternal

= 1.540598

standard

oA;

Ag,

temp

a = 4

d(A) I rel hk£

127665

.87

.03

.43

.15

.029

0 = 3

1L1L91L5

1-1211

00001

01010

25 1 Co

.08651 A

29( )

612131417

.86

.59

.76

.39

.62

d(A)

44443

33333

33333

22222

22222

22222

22222

22222

22222

22221

.432

.314

.162

.085

.998

.797M

.797M

.511M

.511M

.372

.216

.119M

.119M

.077M

.077M

.950M

.950M

.770

.732

.681M

.681M

.654M

.654M

.571M

.571M

.556M

.556M

.548

.503

.431

-387M.387M.347.328.315M

.315M

.293M

.293M

.256

.218M

.218M

.154M

.154M

.144

.114M

.114M

.082

.043M

.043M

.9961M

a = 3

1L1L

4611

12

11

9

5026

13

100

293550

24

3

4

311L

1L

263

2

318

4

612

2614

10

hk£ 20 ( )

0-121

-3

-102

-23

4-10

-32

-2140

-3

2-4350

-1-5-14

-2

-4325

-1

-5-54

-3-1

0-216

-5

44

-325

11110

00101

01100

11121

10002

00212

11211

10022

22201

12220

11011

22120

02222

22002

22201

31111

22103

12212

22202

20222

2020212122

2323252526

2728282929

3030323233

3333333434

3535353536

3737383838

3839393940

4041414242

4243444445

.02

.57

.33

.74

.22

.41

.41

.35

.35

.41

.72

.60

.60

.00

.00

.27

.27

.29

.75

.40

.40

.74

.74

.87

.87

.08

.08

.20

.85

.95

.65

.65

.32

.64

.87

.87

.26

.26

.93

.64

.64

.90

.90

.12

.74

.74

.43

.30

.30

.40

50

Neodymium Titanium Oxide, Nd2Ti 207 - (continued)

d(A)

1.9961M1.96051.95581.9199M1.9199M

1.9043M1.9043M1.87481.8682M1.8682M

1.85931.8403+1.8403+1.83681.8038

1.7756M1 . 7756M1 . 7708M1.7708M1.7584

1.7531+1.7531+1.7438M1.7438M1,7282

1.69271.68721.6744M1.6744M1.6688M

1.6688M1.65741.6481M1.6481M1.6424M

1.6424M1.6164+1.6164+1.6125M1.6125M

1.6084M1.6084M1.59011.58461.5782M

1.5782M1.57061.5679M1.5679M1.5597M

a = 3

11

28

18

2010

51

11L

4

4

8

10

13

1

247

4

313

10

12

6

3

269

2024

4

64

-5-13

-4356

-1

4-5-371

-350

-66

-42

-317

26

-76

-4

2-373

-1

0-21

-65

58

-54

-5

3-1-32

-2

hk*

12001

22112

01003

22300

03110

32111

13103

33322

10231

12332

01343

22213

33400

31132

40441

10224

41142

22222

30304

44224

28( )

45.4046.2746.3947.3147.31

47.7247.7248.5248.7048.70

48.9549.4949.4949.5950.56

51.4251.4251.5751.5751.96

52.1352.1352.4352.4352.94

54.1454.3354.7854.7854.98

54.9855.3955.7355.7355.94

55.9456.9256.9257.0757.07

57.2357.2357.9558.1758.43

58.4358.7458.8558.8559.19

d(A)

1.5597M1.54221.53871.5279M1.5279M

1.50501.4861M1.4861M1.4791M1.4791M

1.4713M1.4713M1.4295M1.4295M

a = +3

,552

52

5

3

3

08

-668

75

-6-70

6859

hk*

21000

13223

1100

40431

20323

3140

26( )

59.1959.9360.0860.5560.55

61.5762.4462.4462.7762.77

63.1463.1465.2165.21

51

Neodymium Titanium Oxide, Nd4Ti 9024


SampleThe sample was prepared at NBS using BaTi03 , Ti02 , and very low alkaline content Nd203 . Stoichiometric amounts of the constituents were blended with mortar and pestle, then calcined in a platinum crucible, with periodic grindings. An initial calcine at 1250 C for 1 day, followed by a second heating at 1350 C for about 3 days was sufficient to yield a single phase product.

ColorVery light purplish blue

StructureOrthorhombic, Fddd (70), determined from a single crystal, by Kolar et al. [1981]. 2 = 16 is consistent with the density of 5.13, measured by Kolar et al. [1978].


a = 14.475(2) Ab = 35.304(5)c = 13,996(2)

a/b = 0.4100 c/b = 0.3964

Volume 0 7152.3 A3

Density(calculated) 5.171 g/cm3(observed) 5.13 [Kolar et al., 1978]


Additional patterns Kolar et al. [1981]

Kolar et al. [1978], labeled m2T± 4011

ReferencesKolar, D. Gabers£ek, S., Barbulescu, A., and Volavsek, B. (1978). J, Less-Common Metals 60, 137.

Kolar, D., Gabersc'ek, S., Volavgek, B., Parker, H. S., and Roth, R. S. (1981). J. Solid State Chem. 38, 158.

CuKa. \ = 1.540598 A; temp. 25 1 C1 0

Internal standard Ag, a = 4.08651 A

d(A)

9.706.716.515.7755.029

4.512M4.512M4.412M4.412M4.373

4.1573.7593.6553.6173.500

3.3823.3473.3173.2513.225

3.1723.1513.1023.0563.030

2.9742.941M2.941M2.823M2.823M

2.7932.7782.741M2.741M2.677

2.623M2.623M2.6012.5492.540

2.5162.4882.4192.3912.379

I"1

a = 3

444

1010

5

11

6

53223

1710046929

18124418

2522

14

1455

3

19

55

19

264193

hk4

1 12 20 21 52 0

1 70 60 81 12 4

1 31 51 94 00 0

3 74 42 80 43 3

2 100 102 21 113 5

3 90 121 95 14 6

3 72 60 81 11 3

3 111 131 113 92 12

4 04 24 46 24 10

10212

12032

33104

10243

02413

10312

34455

11332

44402

26( )

9.1113.1913.6015.3317.62

19.6619.6620.1120.1120.29

21.3623.6524.3324.5925.43

26.3326.6126.8627.4127.64

28.1128.3028.7629.2029.46

30.0230.3730.3731.6731.67

32.0232.2032.6432.6433.45

34.1634.1634.4535.1835.31

35.6636.0737.1437.5937.79

52

Neodymium Titanium Oxide, Nd4Ti 9024 - (continued)

d(A)

2.3512.3342.313M2.313M2.298

2.2832.251M2.251M2.2312.220

2.207M2.207M2.1862.1682.153

2.1112.0912.0872.0812.0431

2.02572.02061.9833M1.9833M1.9779

1.97301.96821.96501.9522M1.9522M

1.94661.92681.90621.89381.8887+

1.8887+1.8813M1.8813M1.8672M1.8672M

1.86111.8441M1.8441M1.8237M1.8237M

1.80911.80281.7718M1.7718M1.7491

I rel

a = 3

616

7

149

7.5

14

14129

112221

35

10

8

814113

7327

12

9

3

13

5

171720

9

hW

2 103 134 60 25 9

4 120 121 96 62 0

6 40 164 80 62 4

3 133 151 111 157 1

6 82 165 32 81 1

6 22 147 51 35 11

0 103 151 52 180 18

7 16 61 177 30 16

4 63 11 73 35 13

8 06 128 42 120 0

41461

04506

20466

31531

22567

44173

63702

34334

67773

02068

26(0)

38.2538.5538.9038.9039.17

39.4340.0240.0240.3940.61

40.8540.8541.2741.6241.92

42.8143.2343.3343.4644.30

44.7044.8245.7145.7145.84

45.9646.0846.1646.4846.48

46.6247.1347.6748.0048.14

48,1448.3448.3448.7348.73

48.9049.3849.3849.9749.97

50.4050.5951.5451.5452.26

d(A)

1.7435M1 . 7435M1.73091.7138M1.7138M

1.70321.68781.67671.6707M1.6707M

1.6577M1.6577M1.6470+1.6470+1.6437

1.6338M1.6338M1.6290+1.6290+1.6251

1.61671.6005+1.6005+1.5864+1.5864+

1.58141.5762M1.5762M1.57181.5677M

1.5677M1.5641M1.5641M1.5504M1.5504M

1.5481M1.5481M1.54131.5318M1.5318M

1.52841.5188

I rel

a = 3

7

821

9686

5

1L

1L

2

7

7

35

5

1210

512

7

7

6

23

211

bk*

6 148 26 101 194 10

7 93 156 03 92 4

4 161 216 47 35 1

7 132 65 37 113 19

5 138 21 132 84 20

8 43 170 201 216 8

2 220 225 74 48 6

4 144 208 122 107 9

2 229 1

02436

35678

41657

18733

54780

45436

02784

62085

23

28( )

52.4452.4452.8553.4253.42

53.7854.3154.7054.9154.91

55.3855.3855.7755.7755.89

56.2656.2656.4456.4456.59

56.9157.5457.5458.1058.10

58.3058.5158.5158.6958.86

58.8659.0159.0159.5859.58

59.6859.6859.9760.3860.38

60.5360.95

53

Nickel Titanium Oxide, NiTi03

SynonymsNickel titanate Nickel metatitanate


SampleThe sample obtained from Alfa Products, Thiokol/Ventron Division, Danvers, MA was a mixture of oxides. It was heated at 1050 C for 4% days in order to obtain a single phase.

ColorMedium yellow

StructureHexagonal, R3 (148), 2 = 6, isostructural with FeTi03 , Taylor [1930]. The structure of NiTi03 was determined by Sullivan and Pavlovic [1962].


a = 5.0302(2) A c = 13.7905(11)

c/a = 2.7415

Volume 0 302.19 A3



Additional patternsPDF card 17-617 [Skapski, Imperial College of Sci. and Tech., London, Eng., Thesis, priv. comm.J

Earth and Posnjak [1934]

ReferencesEarth, T. F. W. and Posnjak, E. (1934). 2. Kristallogr. Kristallogeom. Kristallphys. Kristallchem. 88A, 271.

Sullivan, D. G. and Pavlovic, A. S. (1962). Proc. W. V. Acad. Sci. 34, 173.

Taylor, N. W. (1930). 2. Phys. Chem. Leipzig B9, 241.

CuKa1 X = 1.540598 A;

Internal standard W, a

d(A)

4.3.2.2.2.

2.2.2.2.1.

1.1.1.1.1.

1.1.1.1.1.

1.1.1.1.1.

1.1.1.1.1.

1.1.1.1.1.

.

.

598685705516332

2992071510778417

7949696263526025M6025M

53274859452241383518

31463086263225752275

21291903M1903M16501492

14051032075705700385

98949721959895069309

92079088

a = 1

241100707

33013

36

153

19

1L262813

103173

24

51

671L73

32641

15

temp. 2511 C

= 3.16524 A

hU 26 («>)

00110

01020

11201

02312

11223

21300

12024

32344

01

01011

01202

01112

01020

01120

22120

32410

12211

43

32405

63124

76182

94058

109706

382

1012

462

104

89403

810

1924333538

39

.29

.13

.09

.65

.58

.1540.86414349

5054565757

6062646669

7172757577

7880808284

8488919395

102104106108111

113115

.96

.53

.45

.83

.02

.21

.46

.46

.34

.45

.07

.03

.48

.74

.12

.15

.55

.74

.85

.65

.65

.78

.18

.97

.57

.46

.56

.76

.26

.82

.75

.26

.68

.58

.90

54

Potassium Fluoride Hydrate, KF-2H20

SynonymPotassium fluoride dihydrate


SampleThe sample was obtained from the Fisher Scientific Co., Fair Lawn, NJ. It was somewhat deliquescent.

ColorColorless

StructureOrthorhombic, Pb2 1m (26), Z = 2. The structure was determined by Anderson and Lingafelter [1951].


a = 5.1848(7) A b = 8.8328(12) c = 4.0850(6)

a/b = 0.5870 c/b = 0.4625

Volume 0 187.08 A3


Figure of meritF30 = 110.4(0.009,32)


ReferencesAnderson, T. H. and Lingafelter, E. C. (1951). Acta Crystallogr. 4, 181.


CuKax A

Internal

d(A)

5.1814.4694.4144.0833.363

3.2093.0152.9992.5982.561

2.4872.23562.20832.16922.1249

2.04262.03221.96181.94551.9427

1.90091.85791.85361.81931.7578

1.74531.72821.69621.68151.6722

1.60891.59691.57821.56621.5075

1.49781.45991 . 44061.41571.4088

1.40011.3847

= 1.540598

standard

I-1

a = 5

522361052

39100

85035

853

2558

23109

2635

37745

81

111L1L

3831L1

65415

44

oA;

W, a

11001

11011

22012

01220

11012

13321

31232

32112

30

temp

= 3

hk£

01202

01223

12431

04234

01243

20145

23112

25463

36

. 25 1

.16524

00010

11110

00011

20101

22211

20000

02212

10202

11

CoA

26( )

17.1019.8520.1021.7526.48

27.7829.6129.7734.5035.01

36,0840.3140.8341.6042.51

44.3144.5546.2446.6546.72

47.8148.9949.1150.1051.98

52.3852.9454.0254.5354.86

57.2157.6858.4358.9261.46

61.9063.6964.6565.9366.29

66.7667.60

55

Potassium Iron Cyanide, K4 Fe(CN)6

SynonymPotassium ferrocyanide


SampleThe sample was prepared by heating reagent K4Fe(CN) 6 -H20 at 115 C for 3 weeks.

ColorPale yellow

StructureOrthorhombic, Bmmm (65), Z = 4. The cell was found by use of the Visser program [1969]. The space group was assigned by consideration of the absences in the powder pattern*


a = 14.010(7) A b = 21.027(6) c = 4.1751(13)

a/b = 0.6663 c/a = 0.1986

Volume 0 368.35 A3


Figures of meritF30 = 24.1(0.015,83) M20 = 20.7


ReferencesHanawalt, J. D., Rinn, H. W., and Frevel, L. K. (1938). Ind. Eng. Chem. Anal. Ed. 10, 457.

Visser, J. W. (1969). J. Appl. Crystallogr. 2, 89.

CuKa1 \

Internal

d(A)

10.516.665.2544.9574.201M

4.201M3.9993.9293.7393.604

3.500M3.500M3.4773.134M3.134M

3.0782.9852.8442.7592.626

2.5012.4022.2062.1972.129

2.102M2.102M2.0872.0402.015

2.0091 . 943M1 . 943M1.8421.807

1.80311.7453M1.7453M

= 1.540598

standard

o = 1

57

101216

6131189

24

2247

3910065222

710223532

11

20218

87

716

188

0

A; temp.

Ag, a = 4.

hU

0 22 10 42 30 5

2 41 01 11 22 5

0 64 01 32 64 3

3 13 23 32 70 8

3 51 75 31 85 4

0 104 80 06 52 10

3 84 96 66 72 5

4 106 88 1

0000b

01110

00100

11100

11111

00200

10002

000

25 1 C

08651 A

26( )

8.4113.2916.8617.8821.13

21.1322.2122.6123.7824.68

25.4325.4325.6028.4628.46

28.9929.9131.4332.4334.11

35.8837.4140.8841.0542.43

43.0043.0043.3144.3644.95

45.0946.7146.7149.4350.47

50.5852.3852.38

56

Potassium Vanadium Oxide, KV03

SynonymPotassium vanadate

SampleThe sample was prepared at NBS by fusing K2C03 and V205 .

ColorGreyish pink

StructureOrthorhombic, Pmab (57), Z = 4, isostructural with NH4V03 [Evans and Block, 1954]. The structure was determined by Petrasova et al. [1958].


a = 5.6955(12)1b = 10.7961(10)c = 5.1796(3)

a/b = 0.5276 c/a = 0.4798

Volume 0 318.49 A3


Figure of meritF30 = 107.3(0.007,41)

Additional patternPDF card 26-1342 [Feigelson et al., 1972]

ReferencesEvans, H. T. Jr. and Block, S. (1954). Am. Mineral. 39, 326.

Feigelson, R. S., Martin, G. W., and Johnson, B. C. (1972). J. Cryst. Growth 13-14, 686.

Petrasova, M., Madar, J., and Hanic, F, (1958). Chem. Zvesti 12, 410. .

CuKcfj X

Internal

d(A)

5.3975.1814.6723.9173.737

3.6123.1252.9552.8472.700

2.6232.5902.5185M2.5185M2.4391

2.39462.33532.30312.20632.1608

2.10182.05051.99321.95941.9164

1.88131.86861.79921.77531.7261

1.70401.69991.6915M1.6915M1.6585

1.64461.6328M1.6328M1.62901.5926

1.57991 .56241.55711.55311.5206

= 1.540598 A;

standard Ag,

I rel

a = 2

9181L

1618

6100

3459

15182

18

76

1021

433

155

33261

91010

1

22

22

63332

00010

11020

10201

00111

02022

10010

00320

01211

12032

temp,

a = 4

hk£

20122

12304

30214

42142

33540

54640

16235

21565

24346

01101

11100

12020

12212

21102

12023

31122

33112

32300

25 1 C

08651 A

26(0)

16.4117.1018.9822.6823.79

24.6328.5430.2231.4033.15

34.1634.6135.6235.6236.82

37.5338.5239.0840.8741.77

43.0044.1345.4746.3047.40

48.3448.6950.7051.4353.01

53.7553.8954.1854.1855.35

55.8656.3056.3056.4457.85

58.3659.0859.3059.4760.87

57

Potassium Vandium Oxide, KV03 - (continued)

d(A)

11111

11111

11111

11111

11111

.5011

.4774+

.4774+

.4591

.4550

.4233M

.4233M

.4090M

.4090M

.3661

.3489M

.3489M

.3129

.2949M

.2949M

.2856

.2729

.2591M

.2591M

.2540

.2459

.2431

.2296

.2184M

.2184M

I rel

a = 2

22

78

5

2

2

1

51L

222

1

331L1

hkA

10020

24132

00120

01401

03120

37664

20433

85840

18421

62253

31213

30323

03034

41044

33434

26( )

61.62.62.63.63.

65.65.66.66.68.

69.69.71.73.73.

73.74.75.75.75.

76.76.77-78.78.

7585857393

5353282865

6565850101

6248444480

3858584343

58

Silicon Nitride, p-$i 3N4

SynonymTrisilicon tetranitride


SampleThe sample was prepared at NBS by J. Waring by heating Si3N4 obtained from GTE Products, Towanda, PA to 1785 C for 1 hr at 15 psig. The sample was contained in a Si3N4 crucible within a molybdenum crucible.

ColorGreyish white

StructureHexagonal, P63/m (176), Z = 2. The structure was determined by Hardie and Jack [1957] and confirmed by Borgen and Seip [1961].


a = 7.6044(2)A c = 2.9075(1)

c/a = 0.3823

Volume 0 145.61 A3


PolymorphismTurkdogan and Ignatowicz (1957) established the existence of two forms of Si3N4 . These two forms Of and p generally occur together. Ruddlesden and Popper (1958) reported the possibility of a third form having still a different stacking sequence.

Figure of meritF30 = 108.2(0.009,32)

Additional patternsPDF card 9-259 [Decker, General Elec. Co., NY, priv. comm.)

PDF card 29-1132 [Morris et al., 1977]

Hardie and Jack [1957]

Ruddlesden and Popper [1958]

Narita and Mori [1959]

ReferencesBorgen, 0. and Seip, H. M. (1961). Acta Chem. Scand. 15, 1789.

Hardie, D. and Jack, K. H. (1957). Nature London 180, 332.

Morris, M. C., McMurdie, H. F., Evans, E. H., Paritzkin, B., de Groot, J. H., Newberry, R., Hubbard, C. R., and Carmel, S. J. (1977)* Natl. Bur. Stand. U.S. Monogr. 25, Sec. 14, 116.

Narita, K. and Mori, K. (1959). Bull. Chem. Soc. Jpn. 32, 417.

Ruddlesden, S. N. and Popper, P. (1958). Acta Crystallogr.,V1, 465.

Turkdogan, E. T. and Ignatowicz, S. (1957). J. Iron Steel Inst. London 185, 200.

CuKa X

Internal

d(A)

6.5833.8003.2932.6602.489

2.3102.19392.17971.90131.8916

1.82751.75251.59111.54671.5108

1.45341.43681.43251.41971.3579

1.34081.32991.31731.28831.2675

1.25541.24471.19981.18311.1618

1.15511.14451.13771.09571.0828

1.05451.04761.02691.02191.0147

= 1.540598

standard

x rel

a = 2

34351009993

9103185

123712615

158511

3965187

161221L

23343

1L61L41

oA; Si,

11212

13222

33233

04411

32543

24553

24354

53644

temp

a =

hkJfc

01001

10021

10212

01001

20013

12013

22113

22013

5

00010

10101

01110

20122

12010

20101

21210

02121

25 1 C

43088 A

28( )

13.4423.3927.0633.6736.05

38.9541.1141.3947.8048.06

49.8652.1557.9159.7461.31

64.0164.8465.0665.7269.12

70.1370.7971.5773.4474.85

75.7076.4779.8981.2583.06

83.6584.6085.2389.3490.70

93.8594.6697.2097.8498.78

59

Silicon Nitride, p-Si 3N4 - (continued)

d(A)

1.0043.9914.9761.9589.9554

.9492

.9455

.9408

.9298

.9175

.9132

.9034

.8950

.8866

.8722

.8712

.8682

.8634

.8561

.8537

a = 2

23435

81121

34356

55112

hk£ 26(0)

65513

64525

64537

64235

12003

12301

24301

23212

01232

12032

01130

12332

100.101.104.106.107.

108.109.109.111.114.

115.117.118.120.124.

124.125.126.

1797219046

4912938919

0200786506

290529

128.27128. 93

60

Silicon Oxide (Quartz-low), crSiQ2

SynonymSilicon dioxide


SampleThe sample was obtained from the Glass Sec tion at NBS. The material was ground single crystals of optical quality.

ColorColorless

StructureHexagonal, P3j21 (152), Z = 3, Bragg and Gibbs [1925], Iwai et al. [1969] and Smith and Alexander [1963] refined the structure. Thermal effects have also been studied by these authors.

Lattice constants of this samplea = 4.9133(2) A c = 5.4053(4)

c/a = 1.1001

Volume 0 113.00 A3


PolymorphismSilicon oxide, Si02 , crystallizes in many other polymorphic forms.


Reference intensityI/Icorundum = 4.32(3)

Additional patternPDF card 5-490 [Swanson et al., 1954], pattern redone to reflect improved techniques for measuring intensities. Citation to many additional patterns is made in the above reference.

ReferencesBragg, W. H. and Gibbs, R. E. (1925). Proc. Roy. Soc. London A109, 405.

Iwai, et al. (1969). Yogyo Kyokai Shi (J. Ceram. Assoc. Japan) 77, 172.

Smith, G. S. and Alexander, L. (1963). Acta Crystallogr. 16, 462.

Swanson, H. S., Fuyat, R. K., and Ugrinic, G. M. (1954). Natl. Bur. Stand. U.S. Circ. 539, 3, 24.

CuKa X

Internal

d(A)

43222

21111

11111

11111

11111

11111

1111

.257

.342

.457

.282

.237

.127

.9792

.8179

.8021

.6719

.6591

.6082

.5418

.4536

.4189

.3820

.3752

.3718

.2880

.2558

.2285

.1999

.1978

.1843

.1804

.1532

.1405

.1143

.0813

.0635

.0476

.0438

.0347

.0150

.9898

.9873

.9783

.9762

.9636

.9607

.9284

.9181

.9161

.9151

.9089

- 1.540598

standard

0 - 1

22100

884

64

141L4

21L911L

67822

12133

11L1L21L

11L1L11

11L11L1

1L1L11L1L

0

A;

Si,

temp

a - 5.

25 1 C

43088 A

hk£ 26( )

11111

2210o

12213

22313

22213

32334

14224

33323

43442

00101

00}00

01110

10000

21211

10010

00120

10202

1201.2

01021

012-5

2

30i30

23142

03140

14320

51432

3405i

02314

2026363940

4245505054

5557596465

6768687375

7779808181

8384879092

94959698102

102103104106106

j 1 ji114114114115

8565544629

4781146187

3324950076

7513324667

6688051547

8297468682

6612227420

56.88.20.14.61

.13

.0846.66.89

61

Sodium Aluminum Oxide, p-NaA102

SynonymSodium aluminate


SampleThe sample was obtained from ICN-K&K Laboratories, Inc., Plainview, NY. It was partially hydrated and was heated in air to 875 C for 1 hour. It changed back readily to a hydrate.

ColorColorless

StructureOrthorhombic, Pna2i (33), Z = 4, isostructural with orthorhombic sodium ferrite, p-NaFe0 2 . The unit cell and space group were determined by Thery and Brian^on [1964].


a = 5.3868(11) A b = 7.0334(15) c = 5.2182(10)

a/b = 0.7659 c/b = 0.7419

Volume 0 197.70 A3


PolymorphismThere is a tetragonal y-form, stable at high temperatures. The temperature of transformation p * y is 470 C [ibid.].


Additional patternPDF card 19-1177 [ibid.]

ReferenceThery, J. and Brian^on, D. (1964). Rev. Int. Hautes Temp. Refract. !_, 221.

CuKaj A.

Internal

d(A)

4.2834.1953.3062.9462.695

2.6092.5642.5152.3932.267

2.2272.1482.139M2.139M2.096

1.9871.9531,87401.81081.7695

1.75781.73951.68861.67411.6591

1.65411.59891.52861.49741.4722

1.45811.41701.39711.37541.3631

1.3039M1.3039M1.2823M1.2823M1.2475

1.22171.2057

= 1.540598

standard

I"1

a = 1

35344

8474

94100

7144

51012

2

8241638

244354

5338

3515

221323

25

10

9

3

22

oA;

Si,

10112

01222

11020

11222

03021

23312

02033

04241

31

temp

a =

hk£

11120

02101

13322

32013

41133

22224

44332

00411

44

5

01100

21011

20102

12220

00312

20130

21312

41214

13

2511 C

43088 A

26( )

20.7221.1626.9530.3133.22

34.3434.9635.6737.5539.72

40.4742.0342.2142.2143.13

45.6246.4748.5450.3551.61

51.9852.5754.2854.7955.33

55.5157.6060.5261.9263.10

63.7865.8666.9268.1268.82

72.4272.4273.8473.8476.26

78.1879.42

62

Sodium Borate, NaB02

SynonymSodium metaborate

SampleThe sample was prepared by dehydrat Lug NaB02 *4H20 obtained from the Fisher Scientific Co., Fair Lawn, NJ.

ColorColorless

StructureHexagonal, R3c (167), 2 = 18. The structure was redetermined by Marezio et al. [1963]. The structure had been determined earlier by Fang [1937], [1938].


a = 11.9217(7) A c = 6.4182(5)

c/a = 0.5384

Volume 0 789.99 A3

Density(calculated) 2.490 g/crn 3


Additional patternsPDF card 12-383 [Pistorius, Inst. Geophysics, U. Calif., Los Angeles, CA] labeled anhydrous but appears to be 41^0.

PDF card 12-492 [Norment et al., I960]

PDF card 16-267 [Bouaziz, 1962]

Coles, Scholes, and Amberg [1937]

ReferencesBouaziz, R. (1962), Bull. Soc. Chim. Fr. 7, 1451.

Coles, S. S., Scholes, S. R., and Amberg, C. R. (1937). J. Amer. Ceram. Soc. 20, 215.

Fang, S. M. (1937). J. Amer. Ceram. Soc, 20, 214.

Fang, S. M. (1938). Z. Kristallogr. Kristallgeometrie Kristallphys. Kristallchem. 99A, 1.

Marezio, M., Plettinger, H. A. , and Zachariasen t W. H. (1963). Acta Crystallogr. 16, 594.

Norment, H. G., Henderson, P. I., and South, R. L. (I960). Anal. Chem. 32, 796.

CuKa A

Internal

d(A)

53322

22222

22111

11]11

11111

11111

11111

T 1

1

1

1

1

1

1

1

1

1

i

1

1

1

1

1

953441063982724

614478253221136

013M013M987090548672

78157370M7370M66746527

640S6053585455095318

50024836437441363997

36293403328330742672

23932224M2224M21361974

17401713164715213472

13311285.111008610725

0698

= 1.540598

standard

jrel

cr = ±2

31L

1002

76

73198

5420

49

435

23

169

63

65514L7

IL141L2

IL6ILi2

25

12

55238

32221

2

o A;

Si,

13022

11433

10322

52545

41140

32361

40320

24458

73479

12634

0

temp

a =

hkJ?

10120

32121

14334

i

2022

35012

41513

07265

44510

21610

83452

0

5

2511 C

43088 A

26( )

00202

12012

32021

T

3220

i2434

24124

42424

4324o

25130

25245

6

1425292932

3436394042

4545454748

5152525555

5657585960

6162646666

6870707274

76787S7880

8282828384

8586879091

92

8787139485

2822985827

0000626973

2465650356

0035145638

7956810478

83178920 i87

861 2128008

0124819236

8509793582

11

Sodium Niobium Oxide (Lueshite), NaNb03

SynonymSodium niobate


SampleThe sample was obtained from Shieldalloy Corp., Newfield, NJ. It was annealed at 1275 C for 4 days.

ColorColorless

StructureOrthorhombic, Pbma (57), 2=8. It has a distorted perovskite structure which was refined by Sakowski-Cowley et al. [1969] after earlier work [Vousden, 1951; Wells and Megaw, 1958].


a = 5.5687(5) Ab = 15.523(2)c = 5.5047(6)

a/b = 0.3587 c/b = 0.3546

Volume 0 475.84 A3


PolymorphismNaNb03 becomes tetragonal at about 225 C, and cubic near 435 C [Wood, 1951]. Wood et al. [1962] described a field-induced ferroelectric polymorph which has a cell similar to the orthorhombic phase except that the £ is halved. Bulakh et al. [1962] described a new mineral, natroniobite, which is principally NaNb03 and presumably monoclinic.


Additional patternsPDF card 14-603 [Wood, E., Bell Telephone Lab., Murray Hill, NJ]

PDF card 19-1221 [Parker et al., 1962]

ReferencesBulakh, A. G., Kukharenko, A. A., Knipovich, Yu. N., Kondrat'eva, V. V., Baklanova, K. A., and Baranova, E. N. (1960). Inform. Sb. Vses. Nauch. Issled. Geol. Inst. p. 114.

Parker, Adams, and Hildebrand (1962). U.S. Geol. Surv. Prof. Pap. 450C, 4.

Sakowski-Cowley, A. C., Lukaszewicz, K., and Megaw, H. D. (1969). Acta Crystallogr. B25, 851.

Vousden, P. (1951). Acta Crystallogr. 4, 545.

Wells, M. and Megaw, H. D. (1958). Acta Crystallogr. 11, 858.

Wood, E. (1951). Acta Crystallogr. 4, 353.

Wood, E. A., Miller, R. C., and Remeika, J. P. (1962). Acta Crystallogr. 15, 1273.

CuKa X

Internal

d(A)

3.9123.8823.7973.1222.785

2.754M2.754M2.4682.453M2.453M

2.4352.3662.3512.3422.263

2.2452.09301.95741.9400M1.9400M

1.7857M1.7857M1.75911.7478M1.7478M

1.74321.73851.66521.65931.6018

1.58941.57801.5314M1.5314M1.5252M

= 1.540598

standard

i rela = 2

894511L

24

100

11

11111

21L

2516

1

712

141611

11

2011

1

0

A;

Si,

l0112

10122

12102

02202

01332

11303

11231

temp

a =

hk£

04130

40013

12264

44085

26014

08344

49018

5

10110

12210

21210

21201

32112

31131

31322

25 1 C

.43088 A

26( )

22.7122.8923.4128.5732.11

32.4932.4936.3736.6136.61

36.8838.0038.2538.4139.81

40.1343.1946.3546.7946.79

51.1151.1151.9452.3052.30

52.4552.6055.1155.3257.49

57.9858.4460.4060.4060.67

64

Sodium Niobium Oxide (Lueshite), NaNb03 - (continued)

d(A)

1.5252M1.49471.39231.3779M1.3779M

1.37451.3445M1.3445M1.33621.3164M

1.3164M1.31051.30321.2965M1.2965M

1.2935M1.2935M1.26491.24241.2385

1.23691.23361.22831.18311.1757

1.17061.1311

a = 2

1L3

13

81L

1L1L

145

3

1L23

3351L1

11

hk*

2 10 104 03 72 8

2 54 14 31 01 2

2 104 43 80 41 8

0 121 33 34 04 1

3 42 01 124 42 4

0 124 8

31012

31044

10143

04322

34124

20

26( )

60.6762.0467.1867.9867.98

68.1769.9169.9170.4171.63

71.6372.0072.4772.9072.90

73.1073.1075.0376.6376.92

77.0477.2877.6881.2581.87

82.3085.85

65

Sodium Nitrosyl Iron Cyanide Hydrate, Na2 (NO)Fe(CN) 5 -2H20

SynonymsSodium nitroprusside dihydrateSodium nitroferricyanide dihydrateSodium nitrosylpentacyanoferrate dihydrate.


SampleThe sample was obtained from Alfa Products, Thiokol/Ventron Division, Danvers, MA.

ColorUnground, deep reddish brown Ground, light yellow pink

StructureOrthorhombic, Pnmn (58), Z = 4. [Cooke, 1946]. The structure was determined by Manoharan and Hamilton [1963].


a = 11.908(4)Ab = 15.564(4)c = 6.2031(14)

a/b = 0.7651 c/b = 0.3986

Volume 0 1149.7 A3




ReferencesCooke, P. W. (1946). Nature London 157,

Hanawalt, J. D. , Rinn, H. W. , and Frevel, L. K. (1938). Ind. Eng. Chem. Anal. Ed, H), 457.

Manoharan, P. T. and Hamilton, W. C. (1963). Inorg. Chem. 2, 1043.

CuKaj A = 1.540598 A;


d(A)

75554

4

.79

.969

.760

.507

.726

.4924.296433

33333

32222

22222

22222

22222

21111

11111

11111

.139

.982

.894

.847

.346

.311

.258

.150

.004,947.884M.884M.810

.710M

.710M

.644

.593M

.593M

,536M.536M.425.414.383

.346

.333

.247

.147

.093

.033

.9714

.9455

.9384

.9195

.8868

.8271

.8045

.7792

.7760

.7221

.6988M

.6988M

.6878M

.6878M

jrel

c = 4

334

402

83

101

1001216

37

15122

94

95

5

19

222

31

55

20

223

211

137

1266

81334

55

7

temp. 25 1 C

a = 5.43088 A

hk£

02012

12200

33223

11203

12402

43034

13240

41020

22136

05445

20102

20134

10343

01423

51162

24413

62407

52813

63463

54016

00110

11110

01100

22121

12102

11221

12221

13033

23321

32331

26( )

11.14.15.16.18.

19.20.21.22.22.

23.26.26.27.28.

29.30.30.30.31.

33.33.

3583370876

7566453182

1062913531

7230989882

0303

33.8734.34.

35-35.37.37.37.

38.38.40.42.43.

44.46.46.46.47.

48.49.50.51.51.

53.53.53.54.54.

5656

3737042172

3356100620

5300658332

1987543141

1493933131

66

Sodium Vanadium Oxide, orNaV03

SynonymAlpha-sodium metavanadate


SampleThe saoiple was contributed by Riedel-de Hae'n, Hannover, West Germany. It was labeled NaV03 *H20.

ColorColorless

StructureMonoclinic, I2/a (15), Z = 8. [Marumo et al., 1974]. This phase has been reported to be in space group Cc (9) [Feigelson et al., 1972].


a = 10.333(2) Ab = 9.473(2)c = 5.880(2)P = 104.20(2)

a/b = 1.0908 c/b = 0.6207

Volume 0 557.90 A3


PolymorphismBeta NaV03 changes irreversibly to a-NaV03 at about 404 C. [Lukacs and Strusievici, 1962].


Additional patternsPDF card 20-1168 [Lelong, 1966]

PDF card 27-828 [Feigelson et al., 1972]

PDF card 30-1259 [Kolta et al., 1973]

PDF card 30-1258 [Perraud, 1974]

Lukacs and Strusievici, [1962]

ReferencesFeigelson, R. S., Martin, G. W., and Johnson, B. C. (1972). J. Cryst. Growth 13-14, 686.

Kolta, G. A., Hewaidy, I. F., Felix, N. S., and Girgis, N. N. (1973). Thermochim. Acta 6, 165.

Lelong, L. (1966). Rev. Chim. Miner. 3, 259.

Lukacs, Land Strusievici, C. (1962). Z. Anorg. Allg. Chem. 315, 323.

Marumo, F., Isobe, M., and Iwai, S. (1974). Acta Crystallogr. B30, 1628.

Perraud, J. (1974). Rev. Chim. Miner. 11, 302.

CuKtfj X

Internal

d(A)

6.875.0074.7363.9313.612

3.4393.2613.1793.1473.010

2.8482.7882.7642.6802.447

2.4092.3672.3042.2952.251

2.1792.1502,1402.0972.060

2.0331.9591.9141.863M1.863M

1.83371.82201.80911.7550M1.7550M

1,72121.6924M1.6924M1.66991.6547

1.64751.62451.57921.52721.5108

1.5086M1.5086M1 . 4602M1.4602M1.4151

= 1.540598 A;

standard Ag,

I rel

a = 4

241183

62

2610028712

1438113312

3168

10

163464

21645

45

2112

21

22

5223

13

11

9

4

120

-2-1

21231

0-20

-3-4

-30232

-1-1214

25

-301

-50

-134

4-656

-2

3-601

-6

-1-3257

temp a =

hk£

10212

22113

00321

14330

43441

21415

14243

41303

50653

45311

4

00011

01100

22111

20102

12011

20130

22311

01003

02021

32320

25 1 C

08651 A

26( )

12.8717.7018.7222.6024.63

25.8927.3328.0528.3429.66

31.3932.0832.3733.4136.70

37.3037.9939.0639.2240.03

41.4041.9942.1943.1043.91

44.5246.3047.4748.8648.86

49.6850.0250.4052.0752.07

53.1754.1554.1554.9455.49

55.7556.6158.3960.5861.31

61.4161,4163.6863.6865,96

67

Sodium Vanadium Oxide, p-NaV03

SynonymBeta-sodium metavanadate


SampleThe sample was prepared from NaV03 -H20, which was crystallized from an aqueous solution, by heating at 300 C for 4 days.

ColorColorless

StructureOrthorhombic, 2=4. [Perraud, 1974]


a = 5.3625(15) Ab = 14.155(6)c = 3.6499(11)

a/b = 0.3788 c/b = 0.2579

Volume 0 277.06 A3

Density(calculated) 2.923) g/cm3

PolymorphismBeta-NaV03 changes irreversibly to a-NaV03 at about 404 C. [Lukacs and Strusievici, 1962]


Additional patternsPDF card 1-246 [Hanawalt et al.]> pattern mislabeled NaV03 -H2 0.

PDF card 27-824 [Perraud, 1974]

PDF card 30-1260 [Feigelson et al., 1972]

Lukacs and Strusievici [1962]

ReferencesFeigelson, R. S., Martin, G. W., and Johnson, B. C. (1972). J. Cryst. Growth 13-14, 686.


Lukacs, I. and Strusievici, C. (1962). 2. Anorg. Allgem. Chem. 315, 323.

Perraud, J. (1974). Rev. Chim. Miner. 11,, 302.

CuKOj \

Internal

d(A)

7.095.014.2833.542M3.542M

3.2483.0192.954M2.954M2.683

2.6352.541M2.541M2.506M2.506M

2.3602.3332.2952.0671.965

1.8921.8241.7711.7321.716

1.679M1.679M1.60511.5944M1.5944M

1.55211.5090M1.5090M1.47451.3942M

1.3942M

= 1.540598

standard

jrel

a = 2

11100

624

181335

12

27

5

24515

56315

2

47

12

32

oA;

Si,

01110

01112

21021

02122

10231

11332

11211

1

temp.

a = 5.

hk£

21234

20410

13425

63423

70621

72016

49059

6

00000

11010

01100

00111

02002

12111

20221

2

2511 C

43088 A

26( )

12.4817.6820.7225.1225.12

27.4429.5730.2330.2333.37

34.0035.2935.2935.8035.80

38.1038.5639.2243.7646.17

48.0649.9551.5652.8053.36

54.6254.6257.3657.7857.78

59.5161.3961.3962.9967.08

67.08

68

Strontium Iron Oxide, SrFe120 19

SynonymsStrontium hexaferrite Dodecairon strontium 19-oxide


SampleThe sample was prepared at NBS from a stoichiometric mixture of SrCOs and Fe203 , heated at 1000 C for 1 day, then at 1200 C for 5 days with periodic grind ing. It was then held at 1390 C for 8 h and cooled at 2 per hour to 500 C.

ColorBlackish blue

StructureHexagonal, P63/mmc (194), Z = 2, isostructural with magnetoplumbite, PbFe 120 19 , [Adelskold 1938]. Stacking faults seemed to occur in the 00£ direction, without final annealing of the sample.


a = 5.8868(5)A c = 23.037(2)

c/a = 3.9133

Volume 0 691.38 A3



Additional patternPDF card 24-1207 [Smith, Alien Clark Re search Centre, Plessey Co. Ltd., Towcester, Northants, U.K.]

ReferenceAdelskold, V. (1938). Ark. Kemi Mineral. Geol. 12A, #29, 9.

CuKa \

Internal

d(A)

11.495,7534.6654.2493.839

3.0702.9452.8782.7652.621

2.5502.5342.5082.4902.420

2.3362.3042.2322.1242.0159

1.93761.81451.80611.79621.7221

1.70901.69931.66291.64541.6296

1.61821.60791.60151.56671.5538

1.53871.53301.47151.45501.4398

1.42641.41801.38231.37431.3598

= 1.540598 A; temp,

standard Ag, a = 4

jrel

a = ±2

1L263

10

4422195

100

131415

447

71L

3221

2

52322

68

331022

485

1012

1L6

4442

1L3

1211

hk£

002004102103006

1061 1 00081071 1 4

200201108202203

1 1 60 0 10205206207

1 0 111 1 102091 0 122 1 6

2 0 103002 1 70 0 14304

2 0 111 1 122 1 81 0 14306

2 1 92 0 122202 0 130 0 16

2242 1 112 0 142262 1 12

25±1 °C .08651 A

2e( 0 )

7.6915.3919.0120.8923.15

29.0630.3331.0532.3534.18

35.1635.4035.7736.0437.12

38.5039.0640.3842.5244.93

46.8550.2450.4950.7953.14

53.5853.9155.1955.8356.42

56.8557.2557.5058.9059.44

60.0860.3363.1363.9364.69

65.3765.8167.7368.1869.01

69

Strontium Iron Oxide, SrFe 12019 - (continued)

d(A)

1.3100M1.3100M1.29901.29351.2797

1.2723M1.2723M1.26911.25721.2415

1.20951.20091.19661.17381.1519

I rela = 2

6

1221L

4

444

1L1L1L41L

21310

43341

42210

hkl

2 80 171 71 160 18

0 10 121 80 30 18

0 61 150 171 180 20

26( )

72.0372.0372.7473.1074.02

74.5274.5274.7475.5776.70

79.1279.8080.1482.0383.94

70

Thorium Carbide, ThC

SynonymThorium monocarbide


SampleThe sample was obtained from Alfa Products Thiokol/Ventron Division, Danvers, MA. It contained some semi-amorphous carbon and was somewhat unstable; therefore the intensities are subject to some error.

Color Grey

StructureCubic, Fm3m (225), 2 = 4. [Wilhelm and Chiotti, 1950]. ThC has a Nad type structure.


a = 5.3313(7)A

Volume 0 151.53 A3


Figure of meritF 10 = 58.1(0.017, 10)

Additional patternPDF card 15-36 [Kempter and Krlkonaiij 1962]

ReferencesKempter, C. P. and Krikorian, N. H. (1962). J. Less-Common Metals 4, 244.

Wilhelm, H. A., Chiotti, P. (1950). Trans. Amer. Soc. Metals 42, 1295.

CuKofj A

Internal

= 1.540598

standard

oA;

Si,

temp

a = 5

d(A) I re hk£

3.2.1.1.1.

1.1.i.1.1.

_ _

07566688660715387

33222232192308840260

a = 6

10070607025

1230302520

12232

43445

10212

03221

10012

01021

25 1 C

.43088 A

26( )

2933485760

7078809097

0159212808

6506491C32 |

_ 1

71

Thorium Nitrate Hydrate, Th(N03 ) 4 -5H20

SynonymThorium nitrate pentanydrate

SampleThe sample was obtained from Allied Chemical, General Chemical Division, New York, NY. It was labeled Th(N03 ) 4 *4H20.

ColorColorless

StructureOrthorhombic, Fdd2 (43), Z = 8, [Staritsky, 1956]. The structure of Th(N03 ) 4 *5H20 was determined by Taylor et al. [1966] and Ueki et al. [1966].


a = 11.201(2) A b = 22.896(5) c = 10.593(2)

a/b = 0.4892 c/b = 0.4627

Volume 0 2716.7 A3



Additional patternPDF card 9-36 [Staritsky, 1956]

ReferencesStaritsky, E. (1956). Anal. Chem. 28, 2021.

Taylor, J. C., Miller, M. H., and Hitterman, R. L. (1966). Acta Crystallogr. 20, 842.

Ueki, T., Zalkin, A., and Templeton, D. H. (1966). Acta Crystallogr. 20, 836.

CuK« 1 A

Internal

= 1.540598

standard

oA;

W, a

temp 3

. 25 1

.16524

d(A) I rel hk£

7.5.5.5.4.

4.3.3.3.3.

307342035810

005938852652482

a = 3

10039584454

32471

20

10120

21223

14322

45021

10102

01221

CoA

28( )

1215161718

2222232425

.11

.45

.33

.60

.43

.18

.56

.07

.35

.56

d(A)

3.3313.193M3.193M3.1563.096

3.0843.0122.8622.8002.793

2.7142.6512.550M2.550M2.516

2.4312.4192.4032.3972.347

2.3422.2972.2392.2072.181

2.1192.1062.1012.0732.061

2.0282.0072.0021.9761.943

1.9241.9071.8951.8851.842

1.837+1.837+1.8221.807M1.807M

1.792M1.792M1.7711.7611.756

a = ±3

1228

431

1810

51817

106

11

6

1323222220

1114

51

12

88

1012

8

219

1076

52446

9

84

7

434

hk*

1 13 32 42 60 6

1 31 70 84 03 5

1 50 03 12 84 4

3 34 20 43 71 7

2 22 83 52 45 1

2 105 30 101 13 9

2 61 34 85 50 8

4 00 121 55 16 2

3 12 85 73 92 12

3 113 31 116 01 7

31202

31001

34300

32413

42341

01251

45014

40530

54130

15325

28(°)

26.7427.9227.9228.2528.81

28.9329.6431.2331.9432.02

32.9833.7935.1635.1635.65

36.9537.1437.4037.4938.32

38.4139.1940.2440.8541.37

42.6442.9243.0243.6343.90

44.6545.1345.2745.8846.70

47.2047.6447.9848.2349.44

49.5849.5850.0250.4750.47

50.9350.9351.5851.8952.04

72

Titanium Carbide, TIC


SampleThe sample was obtained from Kennametal, Latrobe, PA.

ColorDark gray

StructureCubic, Fm3m (225), Z = 4. The structure of titanium carbide was qualitatively determined by von Schwarz and Summa [1932].


a = 4.3274(2) A

Volume o 81.037 A3


Figure of meritF10 = 121.6(0.008,10)

Additional patternPDF card 6-614 [Cadoff and Nielsen, 1953]

ReferencesCadoff, I. and Nielsen, J. P. (1953). Trans. AIME 197, 248.

Schwarz, von, M. and Summa, 0. (1932). Z. Elektrochem. 38, 743.

CuKa. \*Internal

= 1.540598oA; temp. 25 1

standard W, a = 3.16525

d(A) I rel hk*

22111

1

.499

.1637

.5302

.3047

.2492

.0818

.9927

.9677

.8834

.8327

a = 3

78100603017

1013252316

12232

43445

10212

03221

10012

01021

CoA

26( )

3541607276

90101105121135

.90

.71

.45

.37

.14

.80

.78

.50

.38

.34

73

Tungsten Oxide, W02

SynonymTungsten dioxide


SampleThe sample was made at NBS by H. S. Parker by heating W03 in a W boat for 20 hours at 372 C in an atmosphere of 95% N2 and 5% H2 gas. This was followed by heating at 590 C for 90 hours under the same conditions .

ColorDark brown

StructureMonoclinic, P2 1 /n (14), 2=4. Distorted rutile structure. The structure was studied by Magneli et ai. [1952] and by Magneli and Andersson [1955]. The structure was dis cussed by Roger et al . [1969].


a = 5.5754(7) A b = 4.8995(12) c = 5.5608(9) p = 118.869(12)

a/b = 1.1380c/b = 1.1350

Vo j ume 0

Dens ity(calculated) 10.78 g/cm 3

Figure of meritF30 - 28.8(0.016,67)

Additional patternPDF card 5-431 [Magneli et al . , Univ. of Uppsala, Sweden]

ReferencesMagneli, A. and Andersson, G. (1955). Act a Chem. Scand. 9, 1378.

Magneli, A., Andersson, G. , Blomberg, B. , arid Kihlbcrg, I. (1952). Anal. Chem. 24, 1998.

Roger, D. B., Shannon, R. D., Sleight, A, W. and Gillson, J. L. (1969). Inorg. Chem. 8, 841,

CuKa

Inte

d(A)

43222

222o2

21111

1111

jI111

1111i

11111

11111

11111

795452831449M449M

442437423398184

1548538337324M7324M

728271677123H7123H

5987548 ]H5 48 In5448540-8

46704157409439343900

35883388299328562251 +

2251+2171214021092087

19821879M1879M15291513

A = 1.540598

rnal standard

a - 3

1100

220

302734172

123

18

311410

110

1010

23545

11235

2333

22

25

0

A;

Si,

temp

a = 5

25 1 C

43088 A

hk£ 26( )

-10110

20

-2-22

-21

-321

2-3-2-]

. Q)030

-32

-2~4-2

3-3-4-42

00

-2-4-2

-41030

01012

0010j.

12011

2121

033I1

20300

02113

40322

04433

11110

02120

21112

0123

30103

12124

13131

04324

40103

1825313636

3636373741

4149495252

52535353

5759595959

6365666767

6970727377

7778787979

8080808383

4979586666

7786074830

9113708080

94324747

6168688299

3593261231

0725726292

9253770118

0185858599

74

Uranium Nitride, UN

SynonymUranium motion! t ride


SampleThe sample was obtained from the Battelle Memorial Institute, Columbus, OH.

ColorDark gray

StructureCubic, Fm3m (225), Z = 4. The structure was determined by Rundle et al. [1948] and con firmed by Mueller and Knott [1958].


a = 4.8897(2) A

Volume 0 116.91 A3



Additional patternsPDF card 11-315 [Mueller and Knott, Argonne National Laboratory, Lemont, IL]

Kempter et al. [1959]

ReferencesKempter, C. P., McGuire, J. C., and Nadler, M. R. (1959). Anal. Chem. 31, 156.

Mueller, M. H. and Knott, H. W. (1958). Acta Crystallogr. 1J., 751.

Rundle, R. E., Baenziger, N. C., Wilson, A. S., and McDonald, R. A., (1948). J. Amer. Chem. Soc. 70, 98.

CuKa X

Internal

d(A)

2.8252.4451.72911.47491.4119

1 . 22241.12191.0935.9981.9410

.8644

.8265

.8149

= 1.540598

standard

I rel

o = 3

10082525818

1122251922

82620

oA;

W, a

12232

43445

456

temp

= 3

hk*

10212

03221

430

.

10012

01021

010

25 1 C

16524 A

28( )

31.6536.7252.9162.9766.13

78.1286.7289.57101.02109.89

126.04137.50141.90

75

Uranyl Acetate Hydrate, C4 H606U-2H2 0

SynonymUranyl acetate dihydrate


SampleThe sample was obtained from the J. T. Baker Chemical Co., Phillipsburg, NJ.

ColorBright greenish yellow

StructureOrthorhombic, ?na2 1 (33), Z = 4. [Mentzen and Giorgio, 19701 (Amirthaiingham et al., 1959]


a ~ 9.630(2) A b = 14,883(2) c = 6.823(2)

a/b = 0.6470 c/b = 0.4584

Volume977,91 A3

Density(calculated) 2.S81 g/cm3

Figure of meritF30 = 38,7(0,016,49)

Additional patternsPDF card 14-744 [Hanawalt et al., 1938)

PDF card 23-714 [Mentzen and Giorgio, 1970]

ReferencesAmirtha1ingham, V., Chandran, 0. V., and Padmanabham, V. M. (1959). Acta Crystallogr.12, 821,

Hanawalt, J. I)., Rinn, H. W. , and Frevel, L. K. (1938). Ind. Eng, Chem. Anal. Ed. 10, 457.

Mentzen, B, and Giorgio, G. (1970). J. Inorg. Nucl. Chem. 32, 1509.

CuKa } A

Internal

= 1.540598

standard

0

A;

Ag,

d(A) I rel

87655

44433

09442290221

581462412936S05

a = 6

6315946522

1004731603

1001i

21122

temp

a =

hk£

12121

12301

4

25 1 C

08651 A

26( )

00101

01011

1011141516

1919202223

9389220197

3688115736

d(A)

3.7063.4703.4563.4103.140M

3.140M3.0922.949M2.949M2.852

2.8452.7372.7272.7032.698M

2.698M2.6062.5322.5102.481

2.4302.4082.374M2.374M2.292

2.2652.2452.230M2 . 230M2.189

2.1222,0992.0762.0572.031

2.0202.0061.9861.9801.963M

1.963M1.9101.8651.8601.841

1.8261.8041 . 800M1 . 800M1.796

a = 6

4322183713

924

7

728303128

1L21179

11381L

3

92010

7

15119

1013

191081414

51L44

31417

17

11201

31133

12021

32230

34424

14321

12120

10131

35503

14325

hk*

34301

14221

51543

32536

40152

61241

26707

36746

61281

85243

10022

01201

02112

02010

00010

11223

31031

32122

00003

01330

26( )

23.9925.6525.7626.1128.40

28.4028.8530.2830.2831.34

31.4232.6932.8133.1233.18

33.1834.3935.4335 . 7536.17

36.9637.3237.8637.8639.28

39.7740.1440.4240.4241.20

42.5743.0743.5643.9944.58

44.8345.1645.6545.8046.20

46.2047.5848.7848.9249.47

49.9050.5450.6850.6850.79

76

Yttrium, Y


SampleThe sample was obtained from the United Mineral and Chemical Corp., New York, NY. The part used was filed off with a file cleaned by dipping it for 10 seconds in a nitric acid solution.

ColorDark gray

StructureHexagonal, Pb3/mmc (194), Z = 2. The structure was done by Bommer [1939].


a = 3.6471(3) A c = 5.7285(6)

c/a = 1.5707

Volume 0 65.988 A3



Additional patternPDF card 12-702 [U.S. Bureau of Mines, Albany, OR].

ReferenceBommer, H. (1939). Z. Elektrochem. 45, 357.

CuKa \

Internal

= 1.540598

standard

oA;

Ag,

temp

a =

4

d(A) I rel hk£

32221

11111

11111

11111

1

.159

.865

.765

.122

.8234

.6338

.5797

.5378

.5229

.4323

.3831

.3041

.2171

.1937

.1685

.1262

.1019

.0770

.0610

.0529

.0121

a = 1

26251001214

12214112

22315

31211

3

10111

12120

21222

12123

2

00001

00100

00011

11000

1

02120

30214

24301

42540

3

25 1 C

08651 A

26( )

2831324249

5658606065

6772788082

8688919394

99

.23

.19

.35

.58

.98

.26

.37

.12

.77

.07

.69

.41

.53

.38

.48

.31

.70

.32

.10

.04

.12

77

Zinc Acetate Hydrate, C4 H604Zn-2H20

SynonymZinc acetate dihydrate


SampleThe sample was obtained from J. T. Baker Chemical Co., Phillipsburg, NJ.

ColorColorless

Optical dataBiaxial (+), N = 1.49, N = 1.490, N = 1.556. 2V is large P *

StructureMonoclinic, C2/c (15), 2=4. [Whitney and Corvin, 1949]. The structure was determined by Van Niekerk et al. [1953].


a = 14.431(5) A b = 5.340(3) c = 10.981(4) p = 99.88(3)

a/b = 2.7024 c/b = 2.0564

Volume 0 833.6 A3



Additional patternPDF card 14-902 [Whitney and Corvin, 1949] Mislabeled Zn(C2H302 )-2H20

ReferencesVan Niekerk, J. N., Schoening, F. R. L., and Talbot, J. H. (1953). Acta Crystallogr. 6, 720.

Whitney, J. and Corvin, I. (1949). Anal. Chem. 21, 645.

Internal

d(A)

7.105.4115.0044.7144.645

4.4363.9873.7893.5453.245

3.1582.8462.8052.6882.509

2.4212.4032.3662.2962.223

2.1552.1372.0542.0301.997M

1.997M1.9611.9241.82031.8038M

1.8038M1.78271.76001.7135

= 1.540598 A;

standard W, a

a = 2

1002389

2321102320

73142

43421

434

114

2212

112

201

-2-1

12

-133

-313

-25

-525

-3-5

5-44

-12

-5-3-77

-7

0246

temp. 2511

= 3.16524

hid

00101

10111

11101

12111

12212

11111

0222

I

02021

12201

23240

21143

21153

45113

6431

C oA

20( )

12.4616.3717.7118.8119.09

20.0022.2823.4625.1027.46

28.2431.4131.8833.3035.76

37.1037.3938.0039.2140.54

41.8942.2544.0644.5945.38

45.3846.2647.2050.0750.56

50.5651.2051.9153.43

78

Zirconium Fluoride, ZrF4

SynonymZirconium tetrafluoride


SampleThe sample was from Alfa Products, Thiokol/ Ventron Division, Danvers, MA. It was heated to 300 C for 3 days to dehydrate a small amount of the hydrate which was present.

ColorColorless

StructureMonoclinic, I2/a (15), Z = 12 [Schulze, 1934, Zachariasen, 1949]. The structure was determined by Burbank and Bensey [1956].


a = 9.5585(13) Ab = 9.9512(13)c = 7.7071(14)0 = 94.520(1)

a/b = 0.9605 c/b - 0.7745

Volume 0 730.81 A3


PolymorphismGaudreau [1965] prepared two other forms of ZrF4 by heating (NH4 ) 3 ZrF 7 under various con ditions. These forms were called alpha and gamma. Gaudreau called the form reported in the present work beta.


Additional patternsPDF card 17-926 [Burbank and Bensey, 1956]

Amirthalirgam and Muralidharan [1964]

Brunton [1965]

ReferencesAmirthalirgam, V. and Muralidharan, K. V. (1964). J. Inorg. Nucl. Chem. 26, 2038.

Brunton, G, (1965). J. Inorg. Nucl. Chem. 27_, 1173.

Burbank, R. D. and Bensey, F. N. (1956). AEC Report K1280.

Gaudreau, B. (1965). Rev. Chim. Miner. 2, 1.

Schulze, G. E. R. (1934). Z. Kristallogr. Kristallgeometrie Kristallphys. Krist- allchem. 89, 477.

Zachariasen, W. H. (1949). Acta Crystallogr. 2, 388.

CuKa 1 X

Internal

d(A)

6.886.0834.9714.7623.889

3.8753.8423.6413.441M3.441M

3.2763.1333.1123.043M3 . 043M

3.0252.6382.5822.5302.494

2.479M2.479M2.4702.4612.382

2.3102.294M2 . 294M2.2842.272

2.2672.2512.2052.17222.1344

2.09942.08832.02662.02181.9566

1.94821.94231.93491.92641.9199M

= 1.540598

standard

I^1

a = 3

18123

1594

100125599

367

1738

251L325

5

322

11L

1L1L

1L1L112

1134

13

88

161234

oA;

Ag,

l002

-1

-2022

-1

11

-200

3-2-322

03

-3-14

-1331

-2

-4-1242

-400

-34

1-2-400

temp

a =

hkl

11202

10121

13032

12232

12130

41341

12411

04330

54250

4

01001

12102

20212

02112

31220

12013

13013

22322

02214

25 1 C

.08651 A

26( )

12.8614.5517.8318.6222.85

22.9323.1324.4325.8725.87

27.2028.4728.6629.3329.33

29.5033.9534.7135.4535.98

36.2136.2136.3536.4837.74

38.9639.2439.2439.4239.64

39.7340.0240.9041.5442.31

43.0543.2944.6844.7946.37

46.5846.7346.9247.1447.31

79

Zirconium Fluoride, ZrF4 - (continued)

d(A)

11111

11111

11111

11111

1

.9199M

.9085

.8824

.8715

.8483

.8316

.8258

.7919M

.7919M

.7873

.7740

.7625

.7484

.7367M

.7367M

.7206

.7064

.6872

.6801

.6588

.6527

a = 3

2951421

121041

26

187

2016

251L64

5

-3-2254

-2230

-4

2-5-11

-5

453

-30

5

hk*

43413

03221

52541

42516

3

13201

43343

11232

01040

0

2

4747484849

4949505051

5151525252

5353545455

55

BO

.31

.61

.31

.61

.26

.74

.91

.92

.92

.06

.47

.83

.28

.66

.66

.19

.67

.33

.58

.34

.56

80

Zirconium Oxide Chloride Hydrate, ZrOCl 2 -8H20

SynonymZirconium oxychloride octahydrate

SampleThe sample was made by slow evaporation at room temperature of an aqueous solution of ZrOCl2 .

ColorColorless

StructureTetragonal, P42jc (114), Z = 8. [Clearfield and Vaughan, 1956]. The structure was refined by Mak [1968].


a = 17.094(3) A c = 7.713(2)

c/a = 0.4512

Volume 2253.8



Reference intensityI/I , = 1.22(12) corundum

Additional patternPDF card 21-1499 [Dept. of Physics, University College, Cardiff, Wales]

ReferencesClearfield, A. and Vaughan, P. A. (1956). Acta Crystallogr. 9, 555.

Mak, T. C. W. (1968). Can. J. Chem. 46, 3491.

CuKa A

Internal

d(A)

12.108.537.667.036.05

5.4174.7394.4294.1414.028

= 1.540598 A

standard Ag

I rel

a = 4

100154

6510

11178

52

»

>

12212

33343

temp

a =

hk£

10102

12113

4

00010

00100

25 1 C

.08651 A

26( )

7.3010.3611.5512.5814.63

16.3518.7120.0321.4422.05

d(A)

3.8573.8283.6793 . 423M3.423M

3.3563.1923.1733.1263.021

2.9362.8482.8102.7402.672M

2.672M2.6412.5582.5472.525

2.4512.419M2.419M2.3782.345

2.3272.3212.2912.2672.259

2.245M2.245M2.2052.1892.155

2.1332.1242.1192.0532.047

2.0142.0072.0001.9871.933

1.9251.8541.8341.811

I rcl

a = ±4

14121727

410214311

1093

101

2755

43

55

7849

13

6

562

1012121316

26659

8838

04144

53544

56656

56465

56743

73663

77467

46745

67875

7798

hk£

02123

10234

20130

41334

23140

01042

23053

23435

62353

5615

20210

02010

1001101201

21023

13213

10301

32032

02003

1010

29(°)

23.0423.2224.1726.0126.01

26.5427.9328.1028.5329.54

30.4231.3931.8232.6533.51

33.5133.9135.0535.2135.53

36.6437.1437.1437.8038.36

38.6638.7639.3039.7339.88

40.1340.1340.9041.2141.88

42.3442.5242.6344.0744.20

44.9845.1445.3045.6246.98

47.1749.1049.6650.34

81

CUMULATIVE INDEX TO CIRCULAR 539, VOLUMES 1-10 and MONOGRAPH 25, SECTIONS 1-18, inclusive.

INORGANIC NAMES

Vol. or Sec. Page

Aluminum, Al ........................ 1Aluminum antimony, AlSb ............. 4Aluminum bismuth oxide, Al4Bi 2Og .... llmAluminum borate, A1 1 3B40 33 .......... 17mAluminum chloride, A1C1 3 ............ 9mAluminum chloride hydrate(chloraluminite), A1C1 3 *6H20 ....... 7

Aluminum copper, Al4Cu9 ............. llmAluminum fluoride hydroxide silicate,topaz, Al2 (F,OH) 2Si04 .............. 1m

Aluminum iron, AIFe ................. 18mAluminum iron antimony oxide, bahianite,Als.66^0.09^2 .9sOi6 .............. 16m

Aluminum iron oxide, AlFe03 ......... 15mAluminum lithium, Al 4Li 9 ............ 10mAluminum nickel, AINi ............... 6mAluminum nitride, A1N ............... 12mAluminum nitrate hydrate,A1(N03 ) 3 -9H20 ...................... llm

Aluminum oxide (corundum), 0?-A1 203 . . 9 Aluminum oxide hydrate (boehmite),a-A!203 -H20 ........................ 3

Aluminum oxide hydrate, diaspore,P-A1203 -H20 ........................ 3

Aluminum phosphate, A1(P03 ) 3 ........ 2mAluminum phosphate (berlinite),A1P04 (trigonal) ................... 10

Aluminum phosphate, A1P04(orthorhombic) ..................... 10

Aluminum plutonium, Al 3Pu ........... 15mAluminum rhenium, AIRe .............. 15mAluminum rhenium, Al 12Re ............ 15mAluminum rhodium, AlRh .............. 15mAluminum ruthenium, AlRu ............ 15mAluminum ruthenium, AlgRu ........... 15mAluminum samarium, AlSm2 ............ 15mAluminum samarium, AlSm3 ............ 15mAluminum samarium, Al2Sm ............ 15mAluminum samarium, Al 3Sm ............ 15mAluminum silicate (mullite),AlgSi 20 13 .......................... 3m

Aluminum sulfate, A12 (S04 ) 3 ......... 15mAluminum technetium, Al6Tc .......... 15mAluminum terbium, Al 2 Tb ............. 15mAluminum terbium, Al 2 Tb 3 ............ 15mAluminum thorium uranium, AlgThU .... 15mAluminum tungsten, AlsW, 6-phase .... 15mAluminum tungsten oxide, A1 2 (W04 ) 3 .. llmAluminum vanadium, AljoV ............ 15mAluminum vanadium, Alxo^sV ......... 15mAluminum vanadium, A1 23V4 ........... 15mAluminum vanadium, A1 4 5V7 , a'-phase . 15mAluminum ytterbium, Al 2Yb ........... 15mAluminum yttrium, A1 3Y .............. 15m

117255

61

379

45

877

98825

63

38

413

477798082838486889091

38

93959698

1007

102104106108111112

Further work on this program is in progress, and it is anticipated that additional sections will be issued. Therefore, the cumulative index here is not necessarily the concluding index for the project.

m - Monograph 25.A mineral name in ( ) indicates a synthetic

sample.

Vol. or Sec. Page

Ammonium aluminum fluoride,(NH4 ) 3A1F6 ......................... 9m 5

Ammonium aluminum selenate hydrate,NH4Al(Se04 ) 2 -12H20 ............... 9m 6

Ammonium aluminum sulfate,NH4A1(S04 ) 2 ...................... 10m 5

Ammonium aluminum sulfate hydrate(tschermigite), NH4A1(SQ4 ) 2 -12H20 6 3

Ammonium azide, NH4N3 ............. 9 4Ammonium beryllium fluoride,(NH4 ) 2BeF4 ....................... 3m 5

Ammonium borate hydrate,NH4B50g-4H2 0 ..................... 17m 7

Ammonium boron fluoride, NH4BF4 ... 3m 6 Ammonium bromide, NH4Br ........... 2 49Ammonium cadmium bromide, (NH4 ) 4 CdBr6 15m 9 Ammonium cadmium chloride, NH4CdCl 3 5m 6 Ammonium cadmium sulfate,(NH4 ) 2 Cd 2 (S04 ) 3 .................. 7m 5

Ammonium cadmium sulfate hydrate,(NH4 ) 2 Cd(S04 ) 2 -6H20 .............. 8m 5

Ammonium calcium sulfate,(NH4 ) 2 Ca 2 (S04 ) 3 .................. 8m 7

Ammonium cerium nitrate,(NH4 ) 2 Ce(N03 ) 6 ................... 18m 6

Ammonium chlorate, NH4C104(orthorhombic) ................... 7 6

Ammonium chloride (salammoniac),NH4C1 ............................ 1 59Ammonium chromium sulfate hydrate,NH4Cr(S04 ) 2 -12H20 ................ 6 7

Ammonium cobalt (II) chloride,NH4CoCl 3 ......................... 6m 5Ammonium cobalt fluoride, NH4CoF3 8m 9 Ammonium copper bromide hydrate,(NH4 ) 2 CuBr4 -2H20 ................. 10m 6

Ammonium copper chloride, NH4CuCl 3 7m 7 Ammonium copper chloride hydrate,(NH4 ) 2 CuCl 4 -2H20 ................. 12m 6

Ammonium copper fluoride, NH4CuF3 llm 8 Ammonium gallium sulfate hydrate,NH4 Ga(S04 ) 2 *12H20 ................ 6 9

Ammonium germanium fluoride,(NH4 ) 2GeF6 ....................... 6 8

Ammonium hydrogen arsenate,NH4H2As0 4 ....................... 16m 9

Ammonium hydrogen carbonate(teschemacherite), (NH4 )HC03 ..... 9 5

Ammonium hydrogen phosphate,NH4H2P04 ......................... 4 64

Ammonium iodate, NH4 I03 ........... 10m 7Ammonium iodide, NH4 I ............. 4 56Ammonium iridium chloride,(NH4 ) 2 IrCl 6 ...................... 8 6

Ammonium iron chloride hydrate,(NH4 ) 2FeCl 5 -H20 .................. 14m 7

Ammonium iron fluoride, (NH4 ) 3FeF0 9m 9 Ammonium iron sulfate, NH4Fe(S04 ) 2 10m 8 Ammonium iron sulfate hydrate,NH4Fe(S04 ) 2 -12H20 ................ 6 10

Ammonium lead chloride, (NH4 ) 2PbCl6 llm 10 Ammonium magnesium aluminum fluoride,NH4MgAlF6 ........................ 10m 9

82

Vol. orSec. Page

Ammonium magnesium chromium oxidehydrate, (NH4 ) 2Mg(Cr04 ) 2 -6H20 .... 8m 10

Ammonium magnesium phosphate hydrate(struvite), NH4MgP04 -6H20 ........ 3m 41

Ammonium manganese chloride hydrate,(NH4 ) 2MnCl4 -2H20 ................. llm 11

Ammonium manganese(II) fluoride,NH4MnF3 .......................... 5m 8Ammonium manganese sulfate,(NH4 ) 2Mn2 (S04 ) 3 .................. 7m 8

Ammonium manganese sulfate hydrate,(NH4 ) 2Mn(S04 ) 2 -6H20 .............. 8m 12

Ammonium mercury chloride, NH4HgCl3 8m 14 Ammonium molybdenum oxide phosphatehydrate, (NH4 ) 3 (Mo03 ) 12P04 -4H20 . . 8 10

Ammonium nickel(II) chloride,NH4NiCl 3 ......................... 6m 6Ammonium nickel chromium oxidehydrate, (NH4 ) 2Ni(Cr04 ) 2 -6H20 .... 8m 16 Ammonium nickel sulfate hydrate,(NH4 ) 2Ni(S0 4 ) 2 -6H20 .............. 17m 9

Ammonium nitrate (nitrammite),NH4N03 ........................... 7 4Ammonium osmium bromide, (NH4 ) 2OsBr6 3 71 Ammonium osmium chloride,(NH4 ) 2OsCl6 ...................... 1m 6

Ammonium palladium chloride,(NH4 ) 2PdCl4 ...................... 6 6

Ammonium palladium chloride,(NH4 ) 2PdCl 6 ...................... 8 7

Ammonium platinum bromide,(NH4 ) 2PtBr6 ...................... 9 6

Ammonium platinum chloride,(NH4 ) 2PtCl6 ...................... 5 3

Ammonium potassium iron chloridehydrate (kremersite),(NH4 ,K) 2FeCls'H20 ................ 14m 8

Ammonium rhenium oxide, NH4Re04 ... 9 7 Ammonium selenium bromide,(NH4 ) 2SeBr6 ...................... 8 4

Ammonium silicon fluoride(cryptohalite), (NH4 ) 2SiF6 ....... 5 5

Ammonium strontium chromium oxide,(NH4 ) 2Sr(Cr04 ) 2 .................. 14m 9

Ammonium strontium sulfate,(NH4 ) 2Sr(S04 ) 2 ................... 15m 11

Ammonium sulfate (mascagnite),(NH4 ) 2S04 ........................ 9 8

Ammonium sulfate, (NH4 ) 2 S 203 ...... 17m 11Ammonium sulfate, (NH4 ) 2S 20 8 ...... 17m 13Ammonium tellurium bromide,

(NH4 ) 2TeBr6 ..................... 8 5Ammonium tellurium chloride,(NH4 ) 2TeCl6 ...................... 8 8

Ammonium tin chloride, (NH4 ) 2SnCl6 5 4 Ammonium tin fluoride, NH4SnF3 .... 18m 8Ammonium titanium fluoride,(NH4 ) 2TiF6 ....................... 16m 10

Ammonium vanadium oxide, NH4V03 ... 8 9 Ammonium zinc chloride, (NH4 ) 3ZnCl 5 15m 12 Ammonium zinc fluoride, NH4ZnF3 ... 8m 18 Ammonium zirconium fluoride,(NH4 ) 3ZrF 7 ....................... 6 14

Antimony cobalt, CoSb ............. 15m 121

Vol. or Sec. Page

Antimony cobalt , CoSb2 ............Antimony cobalt, CoSb 2 ............Antimony cobalt titanium, CoSbTi .. Antimony cobalt vanadium, CoSbV . . . Antimony dysprosium, 'DySb .........Antimony erbium, ErSb .............Antimony (III) fluoride, SbF3 ......Antimony gadolinium, GdSb .........Antimony gallium, GaSb ............Antimony gold (aurostibite) , AuSb2 Antimony indium, InSb .............Antimony (III) iodide, SbI 3 ........Antimony iron titanium oxidehydroxide, derbylite,SbFe4Ti 30 13 (OH) ..................

Antimony lanthanum, LaSb ..........Antimony neodymium, NdSb ..........Antimony(III) oxide (senarmontite) ,Sb203 (cubic) ....................

Antimony (III) oxide, valentinite,Sb203 (ortho rhombic) .............

Antimony(IV) oxide (cervantite) ,Sb204 ............................

Antimony oxide, Sbg0 13 ............Antimony praseodymium, PrSb .......Antimony scandium, SbSc ...........Antimony selenide, Sb 2Se 3 .........Antimony silver sulfide, AgSbS2

(cubic) .........................Antimony silver sulfide (miargyrite) ,

AgSbS2 (monoclinic) .............Antimony silver sulfide (pyrargyrite) ,

Ag3SbS3 (trigonal) ..............Antimony silver telluride, AgSbTe2 Antimony(III) sulfide (stibnite),Sb2S3 ............................

Antimony telluride, Sb2Te 3 ........Antimony terbium, SbTb ............Antimony thorium, SbTh ............Antimony thulium, SbTm ............Antimony tin, SbSn ................Antimony ytterbium, SbYb ..........Antimony yttrium, SbY .............Arsenic , As .......................Arsenic bromide , AsBr3 ............Arsenic cerium, AsCe ..............Arsenic(III) iodide, AsI 3 .........Arsenic oxide (arsenolite),As 203 (cubic) ....................

Arsenic oxide, claudetite, As 203(monoclinic) .....................

Barium , Ba ........................Barium aluminum oxide, BaAl 204 ....Barium aluminum oxide, Ba 3Al 2Oe ... Barium aluminum titanium oxide,Ba l. . 46Ti 5.Barium arsenate, Ba 3 (As04 ) 2 ......Barium borate, BaB407 ............Barium borate, high form, BaB204 . Barium borate, BaBgOjs ...........Barium bromate hydrate, Ba(Br03 ) 2 -H20 ...................

Barium bromide, BaBr2 ............Barium bromide fluoride, BaBrF ... Barium bromide hydrate, BaBr2 *H20

15m15m15m15m4m4m2m4m6746

16m 4m 4m

10

10 16m 4m 4m 3m

5m

5m

5m 3m

53m 5m 4m 4m16m4m4m3

18m 4m

13m

3m 4

5m 12m

18m 2m 4m 4m 7m

8m 10m 10m3m

12212212412541414

4230187316

894243

31

6

81443447

48

49

5147

68

61444515454669

517

51

97

117

10664

10

19631010

83

Vol. or Sec. Page

Vol. orSec. Page

Barium bromide hydrate, BaBr2 '2H20 Barium cadmium chloride hydrate,BaCdCl 4 *4H20 ....................

Barium calcium nitrate,Ba. 25Ca. 75 (N03 ) 2 .................

Barium calcium nitrate,

Barium calcium nitrate,Ba. 75Ca. 25 (N03 ) 2 .................Barium calcium tungsten oxide,Ba2CaW06 .........................

Barium carbonate (witherite), BaC03(or tho rhombic) ...................

Barium garbonate, BaC03 (cubic)at 1075 C .......................

Barium chlorate, Ba(C103 ) 2 ........Barium chlorate hydrate,Ba(C103 ) 2 *H20 ....................

Barium chlorate hydrate,Ba(C104 ) 2 -3H20 ...................

Barium chloride, BaCl 2 , (cubic) ... Barium chloride, BaCl 2 ,(orthorhombic) ...................

Barium chloride fluoride, BaCIF ... Barium chloride hydrate, BaCl 2 *2H20 Barium chromium oxide,Ba 3 (Cr04 ) 2 .......................

Barium fluoride , BaF2 .............Barium hydroxide phosphate,Ba 5 (OH)(P04 ) 3 ....................Barium iodide, BaI 2 ...............Barium iodide hydrate, BaI 2 *2H20 .. Barium lead chloride, BaPbCl4 .....Barium lead nitrate,

Barium lead nitrate,Ba. 67Pb. 33 (N03 ) 2 .................

Barium manganese oxide, BaMn04 ....Barium manganese oxide,Ba(Mn04 ) 2 ........................

Barium molybdenum oxide, BaMo04 . . . Barium molybdenum oxide, Ba 2Mo05 . . Barium neodymiura titanium oxide,BaNd2 Ti 30 10 ......................

Barium nitrate (nitrobarite) ,Ba(N03 ) 2 .........................

Barium nitrite hydrate,Ba(N02 ) 2 *H20 .....................

Barium oxide , BaO .................Barium oxide , Ba02 ................Barium phosphate, Ba 2P20 7 ,(high form) ......................

Barium phosphate, Ba3 (P04 ) 2 .......Barium selenide, BaSe .............Barium silicate, p-BaSi03 .........Barium silicate (sanbornite) ,p-BaSi 20 5 ........................

Barium silicate, Ba 2Si04 ..........Barium silicate, Ba2Si 3Og .........Barium silicate, Ba 3Si0 5 ..........Barium silicate, Ba3Si 50 13 ........Barium silicon fluoride, BaSiF6 . . . Barium strontium nitrate,Ba. 25Sr. 75 (N03 ) 2 .................

Barium strontium nitrate,

16m

15m

12m

12m

12m

9m

2

10 16m

8m

2m 9m

9m 10m 12m

15m 1

llm 10m 16mllm

12m

12m 18m

15m7

12m

18m

llm

15m9m6

16m12m5m13m

13m 13m 13m 13m 13m 4m

12m

12m

16

14

38

38

38

10

54

1117

21

713

11119

1670

12661813

40

4011

177

10

12

14

186318

1912618

10121315177

42

42

Barium strontium nitrate,12m 10m

7Barium sulfate (baryte), BaS04 ....Barium sulfide, BaS ...............Barium thiosulfate hydrate, BaS203 -H20 ....................... 16m

Barium tin oxide, BaSn03 .......... 3mBarium titanium oxide, BaTi03 ..... 3Barium titanium silicate (fresnoite), Ba2TiSi 2Og ....................... 9mBarium tungsten oxide, BaW04 ...... 7Barium tungsten oxide, Ba2WO s ..... 12mBarium vanadium oxide, Ba 3 (V04 ) 2 .. 14m Barium zirconium oxide, BaZr03 .... 5Beryllium, alpha, Be .............. 9mBeryllium aluminum oxide (chrysoberyl), BeAl204 ........... 9

Beryllium aluminum silicate, beryl, Be3Al2 (Si03 ) 6 .................... 9Beryllium calcium iron magnesium aluminum phosphate hydroxide hydrate, roscherite (monoclinic), Be2Ca(Fe. 3Mg -7 ) 2Al. 67 (P04 ) 3 (OH) 3 -2H20 16m

Beryllium calcium manganese aluminum iron phosphate hydroxide hydrate, roscherite (triclinic),

Ma.i2)(P04 ) 6 (OH) 4 -6H20 ...........Beryllium calcium oxide,Be 17Ca 12029 ......................

Beryllium chromium oxide, BeCr204 Beryllium cobalt, BeCo ............Beryllium germanium oxide, Be2Ge04 Beryllium lanthanum oxide, Be2La205 Beryllium niobium, Be 2Kb ..........Beryllium nitride, Be 3N2 ..........Beryllium oxide (bromellite), BeO Beryllium palladium, BePd .........Beryllium silicate, phenakite,Be 2Si04 ..........................

Beryllium sulfate, BeS04 ..........Bismuth, Bi .......................Bismuth bromide oxide, BiOBr ......Bismuth cerium, BiCe ..............Bismuth chloride oxide (Msmoclite),BiOCl ............................

Bismuth dysprosium, BiDy ..........Bismuth erbium, BiEr ..............Bismuth fluoride, BiF3 ............Bismuth holmium, BiHo .............Bismuth(III) iodide, BiI3 .........Bismuth iodide oxide, BiOl ........Bismuth lanthanum, BiLa ...........Bismuth neodymium, BiNd ...........Bismuth oxide (bismite), a-Bi203 .. Bismuth phosphate, BiP04(monoclinic) .....................

Bismuth phosphate, BiP04 (trigonal) Bismuth praseodymium, BiPr ........Bismuth selenide (paraguanajuatite),Bi2Se3 ...........................

Bismuth sulfide (bismuthinite),Bi2S 3 ............................Bismuth telluride, BiTe ...........Bismuth telluride (tellurobis-muthite), Bi2Te3 .................

7m105m109m7m

18m1

5m

815m

38

4m

44m4m1m4m69

4m 4m 3m

3m 3m 4m

18m

5m 4m

3m

42128

201145

149

14108

64

10

13

96

16m 100

891262136592153662

1120201446

5447477

482016484917

111349

16

1350

16

84

Vol. orSec. Page

Vol. orSec. Page

Bismuth vanadium oxide, high form,BiV04 (monoclinic) ...............Bismuth vanadium oxide, low form,BiV04 (tetragonal) ...............

Boron oxide, B203 , phase 1 ........Cadmium, Cd .......................Cadmium ammine chloride,Cd(NH3 ) 2Cl 2 ......................

Cadmium borate, CdB407 ...........Cadmium brornate hydrate,Cd(Br03)-2H20 ...................Cadmium bromide, CdBr2 ............Cadmium bromide chloride, CdBrCl ., Cadmium carbonate (otavite), CdC03 Cadmium cerium, CdCe ..............Cadmium chlorate hydrate,Cd(C104 ) 2 *6H20 ...................

Cadmium chloride, CdCl 2 ...........Cadmium chromium oxide, CdCr204 ... Cadmium copper, Cd8Cu5 ............Cadmium cyanide, Cd(CN) 2 ..........Cadmium fluoride, CdF2 ............Cadmium iron oxide, CdFe204 .......Cadmium lanthanum, CdLa ...........Cadmium manganese oxide, CdMn204 .. Cadmium molybdenum oxide, CdMo04 .. Cadmium nitrate hydrate,Cd(N03 ) 2 -4H20 ....................

Cadmium oxide, CdO ................Cadmium oxide, CdO (ref, standard) Cadmium phosphate, Cd2P207 ........Cadmium phosphate, Cd3 (P04 ) 2 ......Cadmium praseodymium, CdPr ........Cadmium selenide (cadmoselite),CdSe (hexagonal) .................

Cadmium silicate, Cd2 Si04 .........Cadmium silicate, Cd3Si05 .........Cadmium sulfate, CdS04 ............Cadmium sulfate hydrate, CdS04 «H20 Cadmium sulfate hydrate,3CdS04 *8H20 ......................

Cadmium sulfide (greenockite), CdS Cadmium telluride, CdTe ...........Cadmium titanium oxide, CdTi03 ....Cadmium tungsten oxide, CdW04 .....Calcium, Ca .......................Calcium aluminum germanium oxide,Ca3Al2 (Ge04 ) 3 ....................

Calcium aluminum hydroxide,Ca 3Al2 (OH) 12 .....................

Calcium aluminum iron oxide(brownmillerite), Ca4Al2Fe 20 10 ...

Calcium aluminum oxide, Ca3Al206 .. Calcium aluminum oxide (mayenite),Ca 12Al 14033 ......................

Calcium aluminum sulfate hydrate(ettringite), Ca6Al2S30 18 -31H20 ..

Calcium borate, CaB204 ............Calcium borate, CaB204(calculated pattern) .............

Calcium borate hydrate,hexahydroborite, Ca[ B(OH) 4] 2 -2H20

Calcium boride, CaB6 ..............Calcium bromide, CaBr2 ............Calcium bromide hydrate, CaBr2 -6H20 Calcium carbonate (aragonite),CaC03 (orthorhombic) .............

3m

3m10m

3

10m 16m

17m 9

llm7

5m

3m 9

5m llm2m 10m9m5m10m

6

7m 2

8m 16m 16m5m

713m13m3m6m

6m 4

3m15m2m9m

10

llm

16m 5

8 18m

14

147010

1424

1417151163

191816818

1516631621

93272

262764

1219202010

81521218

68

15

16

2810

20

317

Calcium carbonate (aragonite), CaC03 (orthorhombic, calculated pattern) .........................Calcium carbonate (calcite), CAC03 (hexagonal) ................

Calcium chloride (hydrophilite), CaCl2 ............................Calcium chloride f luoride, CaCIF ..Calcium chloride hydrate, CaCl2 *4H20 .......................Calcium chloride hydrate (antarcticite), CaCl 2 -6H20 .......

Calcium chromium germanium oxide, Ca 3Cr2 (Ge04 ) 3 ....................Calcium chromium iron titanium oxide, loveringite, Ca <72KE <33 (Y, Th,U,Pb)^ 05Ti 12>48Fe3<38Cr2-24

.^ > Calcium chromium oxide (chromatite) ,CaCr04 ...........................Calcium chromium oxide, Ca 3 (Cr04 ) 2 Calcium chromium silicate(uvarovite), Ca3Cr2 (Si04 ) 3 .......

Calcium cyanamide, CaCN2 ..........Calcium f luoride (fluorite), CaF2 . Calcium fluoride phosphate(fluorapatite) , Ca sF(P04 ) 3 .......

Calcium fluoride phosphate hydrate,CaFP03 -2H20 ......................

Calcium gallium germanium oxide,Ca 3Ga 2 (Ge04 ) 3 ....................Calcium hydrogen phosphate hydrate,Ca 8H2 (P04 ) 6 -5H20 .................Calcium hydrogen phosphate sulfatehydrate, Ca2HP04S04 -4H20 .........Calcium hydroxide (portlandite) ,Ca(OH) 2 ..........................Calcium iodate (lautarite) ,Ca(I03 ) 2 .........................

Calcium iodate hydrate,Ca(I03 ) 2 -6H20 ....................

Calcium iron germanium oxide,Ca3Fe 2 (Ge04 ) 3 ....................

Calcium iron oxide, CaFe204 .......Calcium iron silicate (andradite) ,Ca3Fe2Si 30 12 .....................

Calcium iron silicatehydroxide, julgoldite,Ca2Fe3Si 30 10 (OH,0) 2 (OH) 2 .........Calcium lead nitrate,Ca. 33Pb 067 (N03 ) 2 .................

Calcium lead nitrate,

15m 136

16m16mllm

8

104297015

53

Calcium magnesium silicate(diopside), CaMg(Si03 ) 2 ..........

Calcium molybdenum oxide(powellite) , CaMo04 ..............

Calcium nitrate, Ca(N03 ) 2 .........Calcium oxide (lime), CaO .........Calcium oxide (lime), CaO(calculated pattern) .............

Calcium oxide phosphate, Ca 40(P04 ) 2 Calcium phosphate, p-Ca 2P20 7 ......Calcium platinum oxide, Ca4Pt06 ... Calcium selenide , CaSe ............

14m

2

llm 10m

llm

12m

10

16m

7 15m

10 18m

1

3m

15m

10

13m

16m

1

14m

14m

10 18m

10m

12m

12m

5m

671

14m 12m7m

10m5m

44

51

1817

73

16

16

106

1322

171969

22

24

18

21

109

58

12

13

1920

22

72

44

44

17

221443

4917951864

85

Vol. orSec. Page

Vol. orSec. Page

Calcium strontium nitrate,Ca.33Sr.67(N03 ) 2 ................. 12m 46

Calcium strontium nitrate,Ca -67Sr. 33 (N03 ) 2 ................. 12m 46

Calcium sulfate (anhydrite), CaS04 4 65 Calcium sulfate hydrate (bassanite),CaS04 -0.5H20 ..................... 18ro 22

Calcium sulfate hydrate (gypsum),CaS04 -2H2 0 ....................... 17m 16

Calcium sulfide (oldhamite), CaS .. 7 15 Calcium telluride, CaTe ........... 4m 50Calcium tin oxide, CaSn0 3 ......... 17m 18Calcium titanium oxide(perovskite), CaTi03 ............. 9m 17

Calcium tungsten oxide, Ca 3W06 .... 9m 19Calcium tungsten oxide, scheelite,CaW04 ............................ 6 23

Carbon, diamond, C ........ ........ 2 5Cerium arsenate, CeAs04 ........... 4m 8Cerium(III) chloride, CeCl 3 ....... 1m 8Cerium cobalt, CeCo2 .............. 13m 50Cerium cobalt, Ce24Cou ........... 13m 51Cerium copper, CeCu6 .............. 7m 99Cerium(III) fluoride, CeF3 ........ 8 17Cerium gallium, CeGa2 ............. 13m 54Cerium magnesium, CeMg ............ 5m 65Cerium magnesium, CeMg3 ........... 13m 56Cerium nickel, CeNi 2 .............. 13m 58Cerium niobium oxide, CeNb04 ...... 18m 25Cerium niobium titanium oxide(aeschynite), CeNbTi06 ........... 3m 24

Cerium nitrate hydrate,Ce(N03 ) 3 -6H20 .................... 17m 20

Cerium nitride, CeN ............... 4m 51Cerium(IV) oxide (cerianite), Ce02 1 56 Cerium phosphide, CeP ............. 4m 52Cerium tantalum oxide, CeTa04 ..... 18m 27Cerium thallium, CeTl ............. 13m 59Cerium thallium, CeTl3 ............ 13m 60Cerium thallium, Ce 3Tl ............ 13m 61Cerium(III) vanadium oxide, CeV04 1m 9 Cerium zinc, CeZn ................. 5m 65Cerium zinc, CeZn3 ................ 14m 50Cerium zinc, CeZn5 ................ 14m 53Cerium zinc, Ce2 Zn 17 .............. 14m 55Cesium aluminum sulfate hydrate,CsAl(S04 ) 2 -12H20 ................. 6 25

Cesium antimony fluoride, CsSbF6 .. 4m 9 Cesium beryllium fluoride, CsBeF3 9m 69 Cesium boron fluoride, CsBF4 ...... 8 22Cesium bromate, CsBr03 ............ 8 18Cesium bromide, CsBr .............. 3 49Cesium cadmium bromide, CsCdBr3(hexagonal) ...................... 10m 20

Cesium cadmium chloride, CsCdCl 3(hexagonal) ...................... 5m 19

Cesium calcium chloride, CsCaCl 3 .. 5m 21 Cesium calcium fluoride, CsCaF3 ... 8m 25 Cesium calcium sulfate,Cs 2Ca 2 (S04 ) 3 ..................... 7m 12Cesium cerium chloride, Cs 2CeCl 6 .. 14m 58 Cesium chlorate, CsC103 ........... 8 20Cesium chlorate, CsC104 ,(orthorhombic) ................... 1m 10

Cesium chloride, CsCl ............. 2 44Cesiua chromium oxide, Cs 2Cr04 .... 3m 25

Cesium chromium sulfate hydrate,CsCr(S04 ) 2 *12H20 ................. 8 21

Cesium cobalt(II) chloride, CsCoCl 3 6m 11 Cesium cobalt chloride, Cs2CoCl 4 .. llm 19 Cesium copper(II) chloride, CsCuCl3 5m 22 Cesium copper chloride, Cs2CuCl4 .. llm 20 Cesium copper sulfate hydrate,Cs 2Cu(S04 ) 2 -6H20 ................. 7m 14

Cesium fluoride, CsF .............. 3m 26Cesium gallium sulfate hydrate,CsGa(S04 ) 2 *12H20 ................. 8 23

Cesium germanium fluoride, Cs2GeF6 5 17 Cesium iodate, CsI03 .............. 15m 26Cesium iodide, Csl ................ 4 47Cesium iodine bromide, CsI 2Br ..... 7m 103Cesium iodine chloride, CsICl 2 .... 3 50Cesium iron chloride hydrate,Cs 2FeCl s «H20 ..................... 14m 14

Cesium iron sulfate hydrate,Cs 2Fe(S04 ) 2 -6H20 ................. 7m 16

Cesium iron sulfate hydrate,CsFe(S04 ) 2 -12H20 ................. 6 28

Cesium lead(II) chloride, CsPbCl 3(tetragonal) ..................... 5m 24

Cesium lead fluoride, CsPbF3 ...... 8m 26Cesium lithium cobalt cyanide,CsLiCo(CN)e ...................... 10m 79

Cesium lithium fluoride, CsLiF2 ... 7m 105 Cesium magnesium chromium oxide,Cs2Mg2 (Cr04 ) 3 .................... 8m 27

Cesium magnesium chromium oxidehydrate, Cs2Mg(Cr04 ) 2 -6H20 ....... 8m 29

Cesium magnesium sulfate hydrate,Cs 2Mg(S04 ) 2 -6H20 ................. 7m 18

Cesium magnesium titanium oxide,Cs 1 . 45Mgo.724Ti7.27 i6 ........... 18m 29

Cesium manganese fluoride, CsMnF3 10m 21 Cesium manganese sulfate hydrate,Cs 2Mn(S04 ) 2 -6H20 ................. 7m 20

Cesium mercury chloride, CsHgCl 3 .. 7m 22Cesium nickel(II) chloride, CsNiCl 3 6m 12 Cesium nickel sulfate hydrate,Cs 2Ni(S04 ) 2 *6H20 ................. 7m 23

Cesium nitrate, CsN03 ............. 9 25Cesium osmium(IV) bromide, Cs 2OsBr6 2m 10Cesium osmium chloride, Cs 2OsCl 6 .. 2m 11Cesium platinum bromide, Cs 2PtBr6 . 8 19Cesium platinum chloride, Cs 2PtCl 6 5 14Cesium platinum fluoride, Cs 2PtF6 . 6 27Cesium selenium bromide, Cs 2SeBr6 . 8 20Cesium silicon fluoride, Cs2SiF6 .. 5 19Cesium strontium chloride, CsSrCl 3 6m 13Cesium sulfate, Cs2S04 ............ 7 17Cesium tellurium bromide, Cs 2TeBrg 9 24Cesium tin chloride, Cs 2SnCl6 ..... 5 16Cesium vanadium sulfate hydrate,CsV(S04 ) 2 -12H20 .................. 1m 11Cesium zinc sulfate hydrate,Cs 2Zn(S04 ) 2 *6H20 ................. 7m 25

Chromium, Cr ...................... 5 20Chromium boride, £-CrB ............ 17m 22Chromium boride, Cr 5B3 ............ 18m 30Chromium chloride, CrCl 2 .......... llm 77Chromium chloride, CrCl 3 .......... 17m 23Chromium chloride hydrate, CrCl 3 -6H20 16m 31Chromium cobalt niobium, CoCrNb ... 15m 140

86

Vol. orSec. Page

Vol. or Sec. Page

Chromium cobalt silicide, Co 9Cr 15Si6 .....................

Chromium cobalt tantalum, CoCrTaChromium fluoride, CrF2 .........Chromium fluoride, Cr2F5 .........Chromium(III) fluoride hydrate/ CrF3 -3H20 ......................

Chromium iridium, Cr3 Ir .........Chromium iron oxide,

Chromium oxide , Cr03 ..............Chromium(III) oxide, Cr203 ........Chromium phosphate, a-CrP04 .......Chromium phosphate, (3-CrP04 .......Chromium phosphate hydrate,CrP04 -6H20 .......................Chromium rhodium, Cr3Rh ...........Chromium silicide, Cr 3Si ..........Chromium sulfate, Cr2 (S04 ) 3 .......Cobalt , Co (cubic) ................Cobalt aluminum oxide, CoAl 204 ....Cobalt ammine iodide, Co(NH3 ) 6 I 3 .. Cobalt antimony oxide, CoSb 2Og ....Cobalt arsenide, CoAs 2 ............Cobalt arsenide (skutterudite) ,CoAs 3 ............................

Cobalt borate, Co 3 (B03 ) 2 ..........Cobalt bromide hydrate, CoBr2 *6H20 Cobalt(II) carbonate (sphaero-cobaltite) , CoC03 ................

Cobalt chlorate hydrate,Co(C104 ) 2 -6H20 ...................

Cobalt chloride hydrate, CoCl2 -2H20 Cobalt chloride hydrate, CoCl2 -6H20 Cobalt chromium oxide, CoCr204 ....Cobalt copper tin, CoCu2Sn ........Cobalt dysprosium, Co 2Dy ..........Cobalt erbium, Co 2Er ..............Cobalt erbium, Co 7Er2 .............Cobalt fluoride, CoF2 .............Cobalt fluoride, CoF2 (calculatedpattern) .........................Cobalt fluoride hydrate, CoF2 «4H20 Cobalt gadolinium, CoGd3 ..........Cobalt gadolinium, Co2Gd ..........Cobalt gadolinium, Co 7 Gd2 .........Cobalt gallium hafnium, Co2GaHf . . . Cobalt gallium manganese, Co2GaMn Cobalt gallium niobium,

><Cobalt gallium niobium, Co 2 GaNb Cobalt gallium oxide, CoGa 204 .. Cobalt gallium tantalum,

Cobalt gallium tantalum, Co2GaTa Cobalt gallium titanium, Co2GaTi Cobalt gallium vanadium, Co2GaV . Cobalt germanium, Co3Ge2 ........Cobalt germanium, Co 5Ge 7 ........Cobalt germanium hafnium,Co 16Ge 7Hf 6 .....................

Cobalt germanium manganese,Co2GeMn ........................Cobalt germanium niobium,

14m15m10m7m

5m 6m

17m 17m

5 2m9

15m6m6

16m4m9

10m 5m 4m

10 12m 12m

10

3m lira llm9m 14m 13m 13m 13m 18m

10m llm 13m 13m 13m 14m 13m

15m14m10

15m 13m 13m 13m 14m 15m

14m

13m

15m

6214281108

2514

2425221226

271529331027832610

212021

24

282223216463646531

85246871726575

1446627

14676777867148

69

79

150

Cobalt germanium niobium, Co 16Ge 7Nb 6 ....................Cobalt germanium oxide, Co2Ge04 Cobalt germanium tantalum,

Cobalt germanium tantalum,Co 16Ge 7Ta 6 .......................

Cobalt germanium titanium, Co2GeTi Cobalt hafnium tin, Co2HfSn .......Cobalt holmium, Co 2Ho .............Cobalt holmium, Co9>2Ho 12 .........Cobalt hydroxide, p-Co(OH) 2 .......Cobalt indium, Coln3 ..............Cobalt iodide , CoI 2 ...............Cobalt iron arsenide(safflorite), CoFeAs 4 ............

Cobalt iron oxide, CoFe 204 ........Cobalt iron sulfide, Co 8FeS 8 ......Cobalt iron vanadium,C°4.35Fe 13.47V12.18 ..............

Cobalt lanthanum, CoLa 3 ...........Cobalt lutetium, Co2Lu ............Cobalt magnesium, Co2Mg ...........Cobalt manganese silicide, Co2MnSi Cobalt mercury thiocyanate,Co[Hg(CNS) 4 ] .....................

Cobalt molybdenum, Co 2Mo ..........Cobalt molybdenum, Co 2Mo3 .........Cobalt molybdenum, Co 7Mo6 .........Cobalt molybdenum silicide,Co 3Mo2Si .........................

Cobalt neodymium, Co2Nd ...........Cobalt nickel tin,

Cobalt niobium silicide, Co 3Nb4Si 7 Cobalt niobium tin, Co 2NbSn .......Cobalt nitrate hydrate, Of-Co(N03 ) 2 -6H20 ..................Cobalt(II) oxide, CoO .............Cobalt(II,III) oxide, Co304 .......Cobalt phosphate, Co(P03 ) 2 ........Cobalt phosphide, CoP .............Cobalt phosphide, CoP3 ............Cobalt phosphide, Co 2P ............Cobalt platinum, CoPt (disordered) Cobalt platinum, CoPt (ordered) ... Cobalt platinum, CoPt 3 (disordered) .....................

Cobalt platinum, CoPt3 (ordered) . .CoPu2 ...........CoPu3 ...........CoPu6 ...........Co 2Pu ...........Co 3Pu ...........

Cobalt plutonium, Co 17Pu2 .........Cobalt praseodymium, Co2Pr ........Cobalt rhodium sulfide, Co8RhS 8 ... Cobalt ruthenium sulfide, Co 8RuS 8 . Cobalt samarium, Co2Sm ............Cobalt samarium, Co 5 Sra ............Cobalt silicate, Co 2Si04 (orthorhombic) ...................

Cobalt silicon fluoride hydrate, CoSiF6 -6H20 ......................

Cobalt sulfate, 0-CoS04 ...........

Cobalt plutonium Cobalt plutonium Cobalt plutonium Cobalt plutonium Cobalt plutonium

14m 10

14m 13m 14m 14m 15m 15m 13m 4m

109m14m

14m 13m 13m 15m 14m

2m 14m 15m 15m

15m 13m

13m 15m 15m

12m 9 9

13m 14m 14m 18m 15m 15m

15m 15m 14m 15m 14m 14m 14m 14m 14m 14m 14m 15m 13m

4m

3ro 2m

7127

15m 152

73807576

154298152

282277

79838615681

1382158160

16287

88164166

22282923838532167168

16917087

17189919294979810017390

11

2714

87

Vol. orSec. Page

Vol. or Sec. Page

Cobalt tantalum silicide,Co 16Ta6Si 7 .......................

Cobalt thorium, Co 17Th2 ...........Cobalt tin, Co3Sn2 ................Cobalt tin oxide, Co2Sn04 .........Cobalt tin vanadium, Co2 SnV .......Cobalt tin zirconium, Co2SnZr .....Cobalt titanium oxide, CoTi03 .....Cobalt titanium silicide,Co 16Ti 6Si 7 .......................

Cobalt tungsten oxide, CoW04 ......Cobalt vanadium silicide, Co2VSi .. Copper, Cu ........................Copper ammine selenate,Cu(NH3 ) 4Se04 .....................

Copper ammine sulfate hydrate,Cu(NH3 ) 4S04 -H20 ..................

Copper antimony oxide, CuSb206 ....Copper arsenate (trippkeite),CuAs 204 ..........................

Copper(I) bromide, CuBr ...........Copper(I) chloride (nantokite),CuCl .............................

Copper chloride hydrate(eriochalcite), CuCl 2 '2H20

Copper fluoride hydrate, CuF2 *2H20 Copper hydrogen phosphite hydrate,CuHP03 '2H20 ......................

Copper hydroxide carbonate,azurite, Cu3 (OH) 2 (C03 ) 2 ..........

Copper hydroxide carbonate(malachite), Cu2 (OH) 2 C03 .........

Copper hydroxide phosphate(libethenite), Cu2 (OH)P04 ........

Copper(I) iodide (marshite), Cul .. Copper lead hydroxide sulfate,linarite, CuPb(OH) 2 (S04 ) .........

Copper(I) oxide (cuprite), Cu20 ... Copper(II) oxide (tenorite), CuO .. Copper phosphate, Cu(P03 ) 2 ........Copper phosphate, Of-Cu2P20 7 .......Copper sulfate (chalcocyanite),CuS04 ............................

Copper(II) sulfide (covellite), CuS Copper uranium oxide, CuU04 .......Dichlorotetraaquochromium (III)chloride dihydrate,[Cr(H20) 4Cl 2 ] C1-2H20 ............

Dysprosium arsenate, DyAs04 .......Dysprosium arsenide, DyAs .........Dysprosium gallium oxide,Dy3Ga 50 12 ........................

Dysprosium gold, DyAu .............Dysprosium nitride, DyN ...........Dysprosium oxide, Dy203 ...........Dysprosium silver, DyAg ...........Dysprosium telluride, DyTe ........Dysprosium vanadium oxide, DyV04 .. Erbium arsenate, ErAs04 ...........Erbium arsenide, ErAs .............Erbium gallium oxide, Er3Ga 50 12 ... Erbium manganese oxide, ErMn03 ....Erbium nitride, ErN ...............Erbium oxide, Er203 ...............Erbium phosphate, ErP04 ...........Erbium silver, ErAg ...............

14m 12m 13m 15m 15m 15m Am

14m4m15m

1

10m

10m5m

16m 4

18m llm

llm

10

10

17m 4

16m 2 1

14m 7m

3m4

10m

16m 3m 4m

2m5m4m9

5m 4m 4m 3m 4m 1m 2m 4m89

5m

10264923017417513

10413

17615

87

9027

12036

35

3325

83

30

31

3038

34234915

113

291393

313053

156653306654153154121655253167

Erbium telluride , Erie ............Erbium vanadium oxide, ErV04 ......Europium arsenate, EuAs04 .........Europium(III) chloride, EuCl3 .....Europium chloride oxide, EuCIO ....Europium gallium oxide,Eu3Ga 50 12 ........................

Europium nitride , EuN .............Europium oxide , EuO ...............Europium phosphate, EuP04 .........Europium(III) vanadium oxide, EuV04 Gadolinium arsenate, GdAs04 .......Gadolinium arsenide, GdAs .........Gadolinium chloride hydrate,GdCl3 *6H20 .......................

Gadolinium chloride oxide, GdCIO .. Gadolinium fluoride, GdF3 .........Gadolinium gallium oxide,

Gadolinium indium, Gdln ...........Gadolinium nitride, GdN ...........Gadolinium oxide, Gd203 ...........Gadolinium silver, GdAg ...........Gadolinium titanium oxide, Gd2Ti05 Gadolinium vanadium oxide, GdV04 .. Gallium, Ga .......................Gallium arsenide , GaAs ............Gallium lutetium oxide, Ga 5Lu30 12 Gallium magnesium, Ga2Mg ..........Gallium magnesium, Ga 5Mg2 .........Gallium neodymium oxide, Ga 5Nd30 12 Gallium oxide, a-Ga203 ............Gallium phosphate (a-quartz type),GaP04 ............................

Gallium phosphate hydrate,GaP04 -2H20 .......................

Gallium samarium oxide, Ga 5Sm30 12 Gallium ytterbium oxide, Ga 5Yb30 12 Gallium yttrium oxide, Ga 5Y30 12 . . . Germanium, Ge .....................Germanium iodide, GeI 2 ............Germanium(IV) iodide, GeI4 ........Germanium oxide, Ge02 (hexagonal)(low form) .......................

Germanium oxide, Ge02(tetragonal) (high form) .........

Gold, Au ..........................Gold chloride , AuCl ...............Gold(I) cyanide, AuCN .............Gold holmium, AuHo ................Gold magnesium, AuMg ..............Gold niobium, AuNb3 ...............Gold potassium cyanide, AuK(CN) 2 .. Gold tin, AuSn ....................Gold titanium, AuTi 3 ...............Gold vanadium, AuV3 ................Hafnium, Hf ......................'..Holmium arsenate, HoAs04 ...........Holmium fluoride, HoF3 .............Holmium nitride , HoN ...............Holmium oxide , Ho 203 ...............Holmium selenide , HoSe .............Holmium silver, HoAg .........Holmium vanadium oxide, HoV04 ......Hydrazinium sulfate, (NH3 ) 2S04 .....Hydrogen amidosulfate, H2NS03H .....

4m 5m 3m 1m 1m

2m 4m 4m llm 4m 4m 4m

7m 1m 1m

2m 5m 4m 1m 6m 8m 5m 2

3m2m12m12m1m4

8

1m 1m 1m1

4m5

81

16m 10 5m 6m 6m 8m7

6m 6m3

3m10m4m9

4m5m4m17m

7

5529321313

17565626161757

1181714

186757168732309

332248513425

27

34424950185825

51

283337336883163619171818342358325968183854

88

Vol. orSec. Page

Hydrogen arsenate, H5As 30 10 ........ 7m 84Hydrogen borate, p-HB02 (monoclinic) 9m 71 Hydrogen borate (metaborite),HB02 (cubic) ..................... 4m 27

Hydrogen iodate, HI03 ............. 5 28Hydrogen iodate, HI 308 ............ 8m 104Hydrogen phosphate hydrate,H3P04 -0.5H20 ..................... 12m 56

Hydrogen tellurate, H6Te06 ........ 12m 34Indium, In ........................ 3 12Indium arsenide, InAs ............. 3m 35Indium oxide, In203 ............... 5 26Indium phosphate, InP04 ........... 8 29Indium sulfide, In2S3 ............. llm 30Iodine, I 2 ........................ 3 16Iridium, Ir ....................... 4 9Iridimn niobium, IrNb3 ............ 6m 19Iridium oxide, Ir02 ............... 4m 19Iridium titanium, IrTi3 ........... 6m 20Iridium vanadium, IrV3 ............ 6m 21Iron, a-Fe ........................ 4 3Iron arsenide, FeAs ............... 1m 19Iron arsenide (loellingite), FeAs 2 10 34 Iron boride, FeB .................. 18m 35Iron bromide, FeBr2 ............... 4m 59Iron carbonate, siderite, FeC03 ... 15m 32 Iron chloride hydrate (rokuhnite),FeCl 2 -2H20 ....................... llm 32Iron chloride hydrate (hydromolysite),FeCl3 -6H20 ....................... 17m 40Iron fluoride hydrate, FeF2 -4H20 llm 90 Iron fluoride, FeF3 ............... 18m 36Iron fluoride hydrate, p-FeF3 -3H2 0 17m 41 Iron hydroxide sulfate hydrate,butlerite, Fe(OH)S04 -2H20 ........ 10m 95Iron iodide, FeI 2 ................. 4m 60Iron oxide (hematite), a-Fe203 .... 18m 37Iron(II,III) oxide (magnetite),Fe 304 ............................ 5m 31Iron phosphate, FeP04 ............. 15m 33Iron phosphate hydrate (vivianite),Fe 3 (P04 ) 2 -8H20 ................... 16m 38Iron sulfate, Fe2 (S04 ) 3 ........... 16m 39Iron sulfate hydrate (melanterite),FeS04 -7H20 ....................... 8m 38Iron sulfide (pyrite), FeS2 ....... 5 29Iron thorium, Fe 17Th2 ............. 12m 67Iron titanium oxide (ilmenite),FeTi03 ........................... 15m 34Iron yttrium oxide, Fe 5Y30 12 ...... 18m 38Lanthanum arsenate, LaAs04 ........ 3m 36Lanthanum arsenide, LaAs .......... 4m 60Lanthanum borate, LaB03 ........... 1m 20Lanthanum chloride, LaCl3 ......... 1m 20Lanthanum chloride oxide, LaCIO ... 7 22 Lanthanum fluoride, LaF3 .......... 7 21Lanthanum magnesium, LaMg ......... 5m 69Lanthanum nickel platinum,LaNi0 . 25Pt4 , 7 5 ................... 17m 42

Lanthanum niobium titanium oxide,LaNbTi06 ........................ 3m 37

Lanthanum nitrate hydrate,La(N03 ) 3 -6H20 .................... 8m 40

Lanthanum nitride, LaN ............ 4m 61Lanthanum oxide, La 203 ............ 3 33Lanthanum phosphide, LaP .......... 5m 69

Vol. orSec. Page

Lanthanum selenide, LaSe .......... 4m 61Lanthanum titanium oxide, La2Ti 207 15m 35 Lanthanum zinc, LaZn .............. 5m 70Lead, Pb .......................... 1 34Lead borate, PbB407 ............... 4m 19Lead bromide, PbBr2 ............... 17m 43Lead bromide chloride, PbBrCl ..... llm 33Lead bromide fluoride, PbBrF ...... 10m 25Lead bromide hydroxide, PbBr(OH) .. 16m 40 Lead bromide oxide, Pb302Br2 ...... 5m 32Lead carbonate (cerussite), PbC03 2 56 Lead chloride (cotunnite), PbCl 2 .. 12m 23 Lead chloride fluoride (matlockite),PbCIF ............................ 13m 25

Lead chromium oxide, Pb2Cr05 ...... 14m 16Lead fluoride, Cf-PbF 2(orthorhombic) ................... 5 31

Lead fluoride, p-PbF2 (cubic) ..... 5 33Lead fluoride iodide, PbFI ........ 10m 26Lead hydrogen arsenate (schultenite),PbHAs04 .......................... 14m 18Lead hydrogen phosphate, PbHP04 ... 15m 37 Lead hydroxide phosphate,Pb 5OH(P04 ) 3 ...................... 8 33Lead iodate, Pb(I03 ) 2 ............. 17m 45Lead(II) iodide, PbI 2 ............. 5 34Lead molybdenum oxide (wulfenite),PbMo04 ........................... 7 23

Lead nitrate, Pb(N03 ) 2 ............ 5 36Lead oxide (litharge), PbO (red,tetragonal) ...................... 2 30

Lead oxide (massicot), PbO (yellow,orthorhombic) .................... 2 32

Lead(II,III) oxide (minium), Pb 304 8 32 Lead oxide sulfate, Pb 505S04 ...... 10m 27Lead selenide (clausthalite), PbSe 5 38 Lead strontium nitrate,Pb <33Sr <67 (N03 ) 2 ................. 12m 53

Lead strontium nitrate,Pb.67Sr. 33 (N03 ) 2 ................. 12m 53

Lead sulfate (anglesite), PbS04 ... 3 67 Lead sulfide (galena), PbS ........ 2 18Lead tin oxide, Pb2Sn04 ........... 10m 29Lead titanium oxide (macedonite),PbTi03 ........................... 5 39

Lead tungsten oxide (stolzite),PbW04 (tetragonal) ............... 5m 34

Lead uranium oxide, Pb3U06 ........ 8m 109Lithium aluminum fluoride,«-Li3AlF6 ........................ 8m 111Lithium arsenate, Li 3As04 ......... 2m 19Lithium azide, LiN3 ............... 8m 113Lithium barium fluoride, LiBaF3 ... 5m 35 Lithium beryllium fluoride, Li 2BeF4 7m 126 Lithium borate, Li 2B407 ........... 8m 114Lithium bromide, LiBr ............. 4 30Lithium calcium aluminum boronhydroxy silicate, liddicoatite,Ca(Li,Al) 3Al 6B3Si 6027 (0,OH) 3 (OH,F) 16m 42

Lithium carbonate, Li 2C03 ......... 8m 42Lithium chlorate hydrate,LiC104 -3H20 ...................... 8 34

Lithium chloride, LiCl ............ 1 62Lithium chromium oxide hydrate,Li 2Cr04 -2H20 ..................... 16m 44

Lithium fluoride, LiF ............. 1 61

89

Vol. orSec. Page

Lithium gallium oxide, LiGa02 .....Lithium hydroxide, LiOH ...........Lithium hydroxide hydrate, LiOH*H20 Lithium iodate, LiI03 (hexagonal) Lithium iodate, LiI03 (tetragonal) Lithium iodide hydrate, LiI'3H20 .. Lithium molybdenum oxide, Li 2Mo04(trigonal) .......................

Lithium niobium oxide, LiNb03 .....Lithium nitrate, LiN03 ............Lithium oxide, Li 20 ...............Lithium phosphate, high form, Li 3P04 Lithium phosphate, low form(lithiophosphate) , Li 3P04 ........

Lithium phosphate hydrate,Li 3P30 9 -3H20 .....................

Lithium potassium sulfate, KLiS04 Lithium rubidium fluoride, LiRbF2 Lithium selenide, Li 2 Se ...........Lithium silicate, Li 2Si03 .........Lithium silver bromide,

Lithium silver bromide, Li >4Ag <6Br Lithium silver bromide,Li. 6Ag. 4Br .......................

Lithium silver bromide,Li .8Ag.2Br .......................Lithium sodium aluminum fluoride,cryolithionite, Li 3Na 3Al 2F 12 .....

Lithium sodium sulfate, LiNaS04 ... Lithium sulfate, Li 2S04 ...........Lithium sulfate hydrate,Li 2S04 *H20 .......................

Lithium sulfide, Li 2S .............Lithium tantalum oxide, LiTa03 ....Lithium telluride, Li 2Te ..........Lithium tin oxide, Li 2 Sn03 ........Lithium tungsten oxide, Li 2W04(trigonal) .......................

Lithium tungsten oxide hydrate,Li2W04 -0.5H20 ....................

Lithium uranium fluoride, LiUF 5 ... Lutetium arsenate, LuAs04 .........Lutetium manganese oxide, LuMn03 .. Lutetium nitride, LuN .............Lutetium oxide, Lu20 3 .............Lutetium vanadium oxide, LuV04 ....Magnesium, Mg .....................Magnesium aluminum oxide (spinel),MgAl 20 4 ..........................Magnesium aluminum silicate (lowcordierite) , Mg 2Al 4Si 5O lS(orthorhorabic) ...................

Magnesium aluminum silicate(indialite) Mg2Al 4Si 50 18(hexagonal) ......................

Magnesium aluminum silicate(pyrope), Mg3Al 2 (Si04 ) 2 ..........

Magnesium borate, MgB40 7 ..........Magnesium borate, Mg2B20 5(triclinic) ......................

Magnesium bromide, MgBr2 ..........Magnesium bromide hydrate,MgBr2 -6H20 .......................Magnesium carbonate (magnesite),MgC03 ............................

10m17mllm

710m 18m

1m6m7

1m 3m

4m

2m3m7m

10m14m

12m 12m

12m

12m

9m 6m 6m

4m 10m 14m 10m 16m

1m

2m 7m 5m 2m 4m 1m 5m 1

9m

1m

1m

4m 17m

4m 4m

llm

7

314692263340

2322272539

21

204312810019

5555

55

55

232426

2210120

10245

25

20131362362273710

25

28

29

2447

2562

35

28

Vol. orSec. Page

Magnesium cerium nitrate hydrate,Mg3Ce2 (N03 ) 12 -24H20 .............. 10 20

Magnesium chlorate hydrate,Mg(C104 ) 2 -6H20 ................... 7m 30

Magnesium chloride (chloro-magnesite), MgCl 2 ................ llm 94

Magnesium chloride hydrate,MgCl2 -12H20 ...................... 7m 135

Magnesium chloride hydrate(bischofite), MgCl 2 -6H20 ......... llm 37

Magnesium chromium oxide(magnesiochromite), MgCr204 ...... 9 34

Magnesium chromium oxide hydrate,MgCr04 -5H20 ...................... 15m 39

Magnesium fluoride (sellaite), MgF2 4 33 Magnesium fluoride silicate(humite), Mg7F2Si 30 12 ............ 1m 30

Magnesium fluoride silicate(norbergite), Mg3F2 Si04 .......... 10 39

Magnesium gallium oxide, MgGa 20 4 .. 10 36 Magnesium germanium oxide,Mg2Ge04 (cubic) .................. 10 37Magnesium germanium oxide,Mg2 Ge04 (orthorhombic) ........... 10 38Magnesium hydrogen phosphatehydrate, newberyite, MgHP04 -3H 20 7m 139

Magnesium hydroxide (brucite),Mg(OH) 2 .......................... 6 30Magnesium iodate hydrate,Mg(I03 ) 2 -4H2 0 .................... 17m 48

Magnesium iron hydroxide carbonatehydrate, pyroaurite,Mg6Fe 2 (OH) 16C03 -4H20 (rhomb.) .... 10m 104

Magnesium iron hydroxide carbonatehydrate, sjogrenite,Mg6Fe2 (OH) 16C03 -4H2 0, (hexag.) ... 10m 103

Magnesium lanthanum nitratehydrate, Mg3La 2 (N03 ) 12 -24H20 ..... 1m 22

Magnesium manganese oxide, MgMn20 4 10m 35 Magnesium mercury, MgHg ........... 6m 84Magnesium molybdenum oxide, MgMo04 7m 28 Magnesium nickel oxide, MgNi02 .... 10m 36Magnesium oxide (periclase), MgO .. 1 37 Magnesium phosphate, Mg(P03 ) 2 ..... 13m 26Magnesium phosphate, a-Mg2P20 7 .... 18m 41Magnesium selenide, MgSe .......... 5m 70Magnesium selenite hydrate,MgSe03 *6H20 ...................... 8m 116Magnesium silicate, enstatite,MgSi03 ........................... 6 32Magnesium silicate (forsterite),Mg2Si04 .......................... 1 83

Magnesium sulfate hydrate(kieserite), MgS04 *H20 ........... 16m 46

Magnesium sulfate hydrate(epsomite), MgS04 *7H20 ........... 7 30

Magnesium sulfide, MgS ............ 7 31Magnesium sulfite hydrate,MgS03 -6H20 ....................... 9m 26Magnesium tin, Mg2 Sn .............. 5 41Magnesium tin oxide> Mg2Sn04 ...... 10m 37Magnesium titanium oxide(geikielite), MgTi0 3 ............. 5 43

Magnesium titanium oxide, Mg 2Ti0 4 12m 25 Magnesium tungsten oxide, MgW0 4 ... 13m 27 Manganese, a-Mn (calculated pattern) 7m 142

90

Vol. orSec. Page

Manganese, or-Mn ................... 17m 50Manganese, ^Mn ................... 18m 43Manganese aluminum oxide (galaxite),MnAl 204 .......................... 9 35

Manganese bromide, MnBr2 .......... 4m 63Manganese(II) carbonate(rhodochrosite), MnC03 ........... 7 32

Manganese chloride (scacchite),MnCl 2 ............................ 8m 43

Manganese chloride hydrate,MnCl2 -2H20 ....................... lira 38

Manganese chloride hydrate,MnCl2 -4H20 ....................... 9m 28

Manganese cobalt oxide, MnCo204 ... 9m 30 Manganese fluoride, MnF2 .......... 10m 105Manganese iodide, MnI 2 ............ 4m 63Manganese iron oxide (jacobsite),MnFe204 .......................... 9 36

Manganese(II) oxide (manganosite),MnO .............................. 5 45

Manganese oxide (pyrolusite), (3-Mn02 10m 39 Manganese oxide (bixbyite), Of-Mn203 llm 95 Manganese oxide (hausmannite),Mn304 ............................ 10m 38

Manganese oxide hydroxide, groutite,a-MnOOH .......................... llm 97

Manganese phosphate, Mn(P03 ) 2 ..... 14m 21Manganese phosphate, Mn2P207 ...... 15m 41Manganese phosphate, Mn3 (P04 ) 2 .... 16m 47Manganese selenide, MnSe .......... 10 41Manganese sulfate hydrate(szmikite), MnS04 -H20 ............ 16m 49

Manganese sulfide (alabandite),Of-MnS ............................ 4 11

Manganese titanium oxide(pyrophanite), MnTi03 ............ 15m 42

Manganese(II) tungsten oxide(huebnerite), MnW04 .............. 2m 24

Manganese vanadium oxide, Mn2V207 9m 75 Mercury amide chloride, HgNH2Cl ... 10m 40 Mercury ammine chloride,Hg(NH3 ) 2Cl2 ...................... llm 39Mercury bromate, Hg(Br03 ) 2 ........ 10m 107Mercury bromide, HgBr2 ............ 10m 110Mercury bromide, Hg2Br2 ........... 7 33Mercury chloride, HgCl2 ........... 13m 29Mercury chloride (calomel),Hg2Cl2 ........................... 13m 30

Mercury chloride sulfide,a-Hg3Cl2S2 ....................... 8m 118

Mercury(II) cyanide, Hg(CN) 2 ...... 6 35Mercury(II) fluoride, HgF2 ........ 2m 25Mercury hydroxide nitrate,Hg(OH)N03 ........................ 17m 52

Mercury(I) iodide, Hgl ............ 4 49Mercury(II) iodide, HgI 2 (tetragonal) 7m 32 Mercury(II) oxide (montroydite),HgO .............................. 9 39

Mercury(II) selenide (tiemannite),HgSe ............................. 7 35

Mercury sulfate, HgS04 ............ 16m 50Mercury sulfate, Hg2S04 ........... 16m 52Mercury(II) sulfide (cinnabar),HgS (hexagonal) .................. 4 17

Mercury(II) sulfide (metacinnabar),HgS (cubic) ...................... 4 21

Vol. orSec. Page

Molybdenum, Mo ....................Molybdenum arsenide, Mo 2As 3 .......Molybdenum osmium, Mo30s ..........Molybdenum oxide, MoOg ............Molybdenum oxide (molybdite), Mo03 Molybdenum sulfide (molybdenite),MoS2 .............................Neodymium arsenate, NdAs04 ........Neodymium arsenide, NdAs ..........Neodymium borate, NdB03 ...........Neodymium chloride, NdCl 3 .........Neodymium chloride oxide, NdOCl ... Neodymium fluoride, NdF3 ..........Neodymium oxide, Nd203 ............Neodymium phosphate, NdP04 ........Neodymium selenide, NdSe ..........Neodymium silver, NdAg ............Neodymium tantalum oxide, NdTa04 .. Neodymium titanium oxide, Nd2Ti05 Neodymium titanium oxide, Nd2Ti20 7 Neodymium titanium oxide, Nd4Tig024 Neodymium vanadium oxide, NdV04 ... Neptunium nitride, NpN ............Nickel, Ni ........................Nickel aluminum oxide, NiAl 204 ....Nickel arsenide (rammelsbergite),NiAs 2 ............................

Nickel arsenic sulfide(gersdorffite), NiAsS ............

Nickel bromide, NiBr2 .............Nickel(II) carbonate, NiC03(trigonal) .......................

Nickel chloride, NiCl 2 ............Nickel chloride hydrate,NiCl2 -6H20 .......................

Nickel fluoride, NiF2 .............Nickel fluoride hydrate, NiF2 *4H20 Nickel gallium oxide, NiGa 204 .....Nickel germanium oxide, Ni 2Ge04 ... Nickel iron oxide (trevorite),NiFe204 ..........................

Nickel nitrate hydrate,Ni(N03 ) 2 -6H20 ....................Nickel(II) oxide (bunsenite), NiO Nickel phosphate, Ni(P03 ) 2 ........Nickel phosphide, Ni 12P5 ..........Nickel silicon fluoride hydrate,NiSiF6 -6H20 ......................

Nickel sulfate, NiS04 .............Nickel sulfate hydrate (retgersite),NiS04 -6H20 .......................

Nickel sulfide, millerite, NiS ....Nickel titanium oxide, NiTi03 .....Nickel tungsten oxide, NiW04 ......Nickel yttrium, Ni 3Y ..............Niobium boride, £-NbB .............Niobium chloride oxide, NbCl 30 ....Niobium osmium, Nb 30s .............Niobium platinum, Nb3PtNiobium silicide,Niobium silicide,Niobium silicide, p-Nb5Si 3Osmium, Os .................Osmium titanium, OsTi ......Palladium, Pd ..............Palladium hydride, PdH0 ^ 706

NbSi 2 ... a-Nb 5Si 3

110m 6m

18m 3

54m4m1m1m884

llm5m5m18m18m18m18m4m4m19

10

1m 10m

1m 9m

llm10mllm109

10

12m 1

14m 9m

8 2m

71m

18m2m10m17m7m6m6m8

15m15m

46m1

5m

20115284430

47286432333736264071714648505230641342

42

35119

3681

42121434543

44

26472283

3826

363754271235414830313943448

852172

91

Vol. orSec. Page

Palladium oxide, PdO ..............Palladium selenium (palladseite) ,Pd 17 Se 15 .........................

Palladium vanadium, PdV3 ..........Phosphorus bromide, PBr 7 ..........Phosphorus oxide (stable form I),P20 5 (ortho rhombic) ..............

Phosphorus oxide (stable form II),P205 (orthorhombic) ..............

Phosphorus oxide (raetastable form),P40 10 (rhombohedral) .............

Platinum, Pt ......................Platinum titanium, PtTi 3 ..........Platinum vanadium, PtV3 ...........Plutonium arsenide, PuAs ..........Plutonium phosphide, PuP ..........Plutonium telluride, PuTe .........Potassium aluminum sulfate,KA1(S04 ) 2 ........................Potassium aluminum sulfate hydrate(potash alum), KA1(S04 ) 2 -12H20 ...

Potassium arsenic fluoride,KAsF6 ............................Potassium barium chromium oxide,K2Ba(Cr04 ) 2 ......................Potassium barium iron titaniumoxide , K! . 16Ba 0 m 72Fe0 m 36Ti 5 . S&^13

Potassium barium molybdenum oxide,K2Ba(Mo04 ) 2 ......................

Potassium barium nickel nitrite,K2BaNi(N02 ) 6 .....................

Potassium borate hydroxide hydrate,K2 B40 5 (OH) 4 '2H20 .................

Potassium boron hydride, KBH4 .....Potassium bromate, KBr03 ..........Potassium bromide, KBr ............Potassium bromide chloride,

Potassium bromide iodide,

Potassium bromide iodide, KBr^ 67 I <33 Potassium cadmium fluoride, KCdF3 Potassium cadmium sulfate,K2 Cd 2 (S04 ) 3 ......................Potassium calcium carbonate(fairchildite), K2 Ca(C03 ) 2 .......

Potassium calcium chloride, KCaCl 3 Potassium calcium fluoride, KCaF3 Potassium calcium magnesium sulfate,K2 CaMg(S04 ) 3 .....................Potassium calcium nickel nitrite,K2 CaNi(N02 ) 6 .....................Potassium calcium sulfate,K2 Ca 2 (304 ) 3 ......................Potassium calcium sulfate hydrate(syngenite), K2Ca(S04 ) 2 -H20 ......

Potassium cerium fluoride, p-KCeF4 Potassium chlorate, KC103 .........Potassium chlorate, KC104 .........Potassium chloride (sylvite), KC1 Potassium chromium oxide, K3Cr08 .. Potassium chromium oxide (lopezite),K2 Cr207 ..........................Potassium chromium oxide sulfate,K2 (Cr04 ) <33 (S04 ) i67 ..............

16m 6m 7m

9m

9m

9m 1

6m 6m 4m 4m 4m

9m

6

17m

14m

16m

14m

9m

15m 971

8m

lirallm8m

7m

8m 7m 8m

7m

9m

7m

14m12m3m61

3m

15m

12m

27

13932

150

86

88

91313334656566

31

36

57

23

147

24

32

46443866

46

444547

34

483649

37

33

39

255942436544

47

28

Vol. orSec. Page

Potassium chromium oxide sulfate,K2 (Cr04 ).67(S04 ). 33 .............. 12m 27

Potassium chromium sulfate,KCr(S04 ) 2 ........................ 16m 58Potassium chromium sulfate hydrate,KCr(S04 ) 2 -12H20 .................. 6 39Potassium cobalt(II) fluoride,KCoF3 ............................ 6m 37

Potassium cobalt fluoride, K2CoF4 llm 46 Potassium cobalt nitrite,K3Co(N02 ) 6 ....................... 9 45Potassium cobalt(II) sulfate,K2 Co 2 (S04 ) 3 ...................... 6m 35Potassium copper chloride, KCuCl 3 7m 41 Potassium copper chloride hydrate(mitscherlichite), K2 CuCl4 -2H20 .. 9m 34

Potassium copper(II) fluoride,KCuF3 ............................ 6m 38Potassium cyanate, KCNO ........... 7 39Potassium cyanide, KCN ............ 1 77Potassium fluoride, KF ............ 1 64Potassium fluoride hydrate, KF'2H20 18m 55 Potassium germanium fluoride,K2GeF6 ........................... 6 41Potassium hydrogen arsenate,KH2As04 .......................... 1m 38Potassium hydrogen iodate,KH(I03 ) 2 ......................... 17m 58

Potassium hydrogen phosphate,KH2P04 ........................... 3 69Potassium hydroxide, KOH at 300 C 4m 66 Potassium iodate, KI0 3 ............ 15m 48Potassium iodate, KI04 ............ 7 41Potassium iodide, KI .............. 1 68Potassium iron chloride hydrate(erythrosiderite), K2FeCl 5 *H20 ... 14m 27

Potassium iron cyanide, K3Fe(CN) 6 9m 35 Potassium iron cyanide, K4Fe(CN)g 18m 56 Potassium iron(II) fluoride, KFeF3 6m 39 Potassium iron fluoride, K3FeFg ... 9m 37 Potassium iron sulfate (yavapaiite),KFe(S04 ) 2 ........................ 16m 59Potassium lead chloride, KPb2 Cl 5 .. 13m 33 Potassium lead chromium oxide,K2Pb(Cr04 ) 2 ...................... 14m 28Potassium lead molybdenum oxide,K2Pb(Mo04 ) 2 ...................... 14m 29Potassium lead phosphate,K2Pb(P03 ) 4 ....................... 15m 50Potassium lead selenate,K2Pb(Se04 ) 2 ...................... 15m 52

Potassium lead sulfate (palmierite),K2Pb(S04 ) 2 ....................... 14m 30Potassium magnesium chloridehydrate (carnallite), KMgCl 3 *6H20 8m 50

Potassium magnesium chromium oxide,K2Mg2 (Cr04 ) 3 ..................... 8m 52Potassium magnesium fluoride, KMgF3 6m 42 Potassium magnesium fluoride, K2MgF4 10m 42 Potassium magnesium selenatehydrate, K2Mg(Se04 ) 2 *6H20 ........ 10m 43

Potassium magnesium sulfate(langbeinite), K2Mg2 (S04 ) 3 ....... 6m 40

Potassium magnesium sulfate hydrate(picromerite), K2Mg(S04 ) 2 *6H20 8m 54

92

Vol. orSec. Page

Vol. orSec. Page

Potassium manganese(II) fluoride, KMnF3 ............................Potassium manganese oxide, KMn04 Potassium manganese(II) sulfate(manganolangbeinite), K2Mn2 (S04 ) 3

Potassium molybdenum oxide, K2Mo04 Potassium molybdenum oxide phos phate hydrate, K3 (Mo03 ) 12P04 -4H20 Potassium nickel fluoride, KNiF 3 Potassium nickel fluoride, K2NiF4 Potassium nickel(II) sulfate, K2Ni2 (S04 ) 3 ......................Potassium niobium fluoride, K2NbF7 Potassium niobium oxide, KNb03 ....Potassium nitrate (niter), KN03 ... Potassium nitrite, KN02 ...........Potassium nitrosyl ruthenium chloride, K2NORuCl 5 ..............

Potassium oxide, K20 ..............Potassium platinum bromide, K2PtBr6 Potassium platinum chloride, K2PtCl6 ..........................Potassium platinum fluoride, K2PtF6 Potassium rhenium chloride, K2ReCl6 Potassium rhenium oxide, KRe04 ....Potassium rubidium chloride,

Potassium rubidium chromium oxide,KRbCr04 ..........................Potassium ruthenium chloride,K2RuCl6 ..........................

Potassium ruthenium oxide chloridehydrate, K4Ru2OCl 10 -H20 ..........

Potassium selenate, K2Se04 ........Potassium selenide, K2Se ..........Potassium selenium bromide, K2SeBr6 Potassium silicon fluoride(hieratite) , K2SiF6 ..............

Potassium silver cyanide, KAg(CN) 2 Potassium sodium aluminum fluoride(elpasolite) , K2NaAlF6 ...........

Potassium sodium bromide,K .2Na .8Br ........................

Potassium sodium bromide,K. 4Na. 6Br ........................Potassium sodium bromide,K. 6Na. 4Br ........................Potassium sodium bromide,

Potassium sodium chloride, K. 2Na. 8Cl ................Potassium sodium chloride, K. 4Na^ 6Cl ................Potassium sodium chloride,

Potassium sodium chloride, K 8Na 2C1 ................ O * £•

Potassium sodium sulfate,

Potassium sodium sulfate, KNaS04 .. Potassium sodium sulfate(aphthitalite) , K3Na(S04 ) 2 .......

Potassium strontium chromium oxide,K2Sr(Cr04 ) 2 ......................Potassium strontium selenate,K2Sr(Se04 ) 2 ......................

6m7

6m 15m

87m

10m

6m8m17m

39m

16m10m

8

13m 62m 8

8m

12m

10

109m10m

8

5 8m

9m

12m

12m

12m

12m

12m

12m

12m

12m

6m 6m

6m

15m

15m

4542

4353

434245

46120625838

6112540

34422841

76

29

46

4741

12641

5078

43

62

62

62

62

63

63

63

63

4850

52

57

58

Potassium strontium sulfate(kalistrontite), K2Sr(S0 4 ) 2 ......

Potassium sulfate, K2S20 7 .........Potassium sulfate, K2 S 2 0 8 .........Potassium sulfate (arcanite), K2S04 Potassium sulfide, K2 S ............Potassium telluride, K2Te .........Potassium thiocyanate, KCNS .......Potassium tin chloride, K2SnCl 6 ... Potassium titanium fluoride, K2TiF6 Potassium tungsten oxide, K2W04 ... Potassium vanadium oxide, KV03 ....Potassium vanadium oxide, KV308 ... Potassium zinc bromide hydrate,KZnBr 3 -2H20 ......................

Potassium zinc fluoride, KZnF3 ....Potassium zinc fluoride, K2ZnF4 ... Potassium zinc iodide hydrate,KZnI 3 -2H20 .......................Potassium zinc sulfate, K2Zn2 (S04 ) 3 Potassium zinc sulfate hydrate,K2Zn(S04 ) 2 -6H20 ..................

Potassium zinc vanadium oxidehydrate, K2Zn2V lo028 -16H20 .......

Potassium zirconium fluoride,K3ZrF 7 ...........................Praseodymium arsenate, PrAs04 .....Praseodymium arsenide, PrAs .......Praseodymium chloride, PrCl 3 ......Praseodymium chloride oxide, PrOCl Praseodymium fluoride, PrF3 .......Praseodymium sulfide, PrS .........Praseodymium vanadium oxide, PrV04 Praseodymium zinc, PrZn ...........Rhenium, Re .......................Rhodium, Rh .......................Rhodium vanadium, RhV3 ............Rubidium aluminum sulfatehydrate, RbAl(S04 ) 2 -12H20 ........

Rubidium amide, RbNH2 .............Rubidium barium chromium oxide,Rb 2Ba(Cr04 ) 2 .....................

Rubidium barium molybdenum oxide,Rb 2Ba(Mo04 ) 2 .....................

Rubidium bromate, RbBr03 ..........Rubidium bromide, RbBr ............Rubidium cadmium chloride, highform, RbCdCl 3 (tetragonal) .......

Rubidium cadmium chloride,low form, RbCdCl 3 (orthorhombic)

Rubidium cadmium sulfate,Rb 2Cd2 (S04 ) 3 .....................

Rubidium calcium chloride, RbCaCl 3 Rubidium calcium fluoride, RbCaF3 Rubidium calcium sulfate,Rb 2Ca 2 (S04 ) 3 .....................Rubidium chlorate, RbC103 .........Rubidium chlorate, RbC104 .........Rubidium chloride, RbCl ...........Rubidium chromium oxide, Rb 2Cr04 .. Rubidium chromium oxide, Rb 2Cr 20 7 Rubidium chromium sulfate hydrate,RbCr(S04 ) 2 -12H20 .................

Rubidium cobalt(II) chloride,RbCoCl 3 ..........................Rubidium cobalt fluoride, RbCoF3 ..

14m9m17m

310m 10m

867

llm18m8m

llm5

10m

llm 6m

7m

3m

94m4m1m95

4m 5m 5m23

6m

6 5m

14m

15m 87

5m

5m

7m 7m 8m

7m8

2m4

3m 15m

6m 8m

31996462

127128443840475756

1045146

10754

43

45

463267394752674072139

56

4473

32

594543

43

41

454757

484730414660

47

5758

93

Vol. orSec. Page

Vol. orSec. Page

Rubidium cobalt sulfate,Rb2 Co2 (S04 ) 3 .....................

Rubidium copper chloride hydrate,Rb2 CuCl 4 -2H20 ....................

Rubidium copper sulfate hydrate,Rb2Cu(S04 ) 2 *6H20 .................

Rubidium fluoride, RbF ............Rubidium iodate, RbI03 ............Rubidium iodate, RbI04 ............Rubidium iodide, Rbl ..............Rubidium iron chloride hydrate,Rb2FeCl 5 -H20 .....................

Rubidium iron sulfate hydrate,Rb2Fe(S04 ) 2 -6H20 .................Rubidium lead chromium oxide,Rb2Pb(Cr04 ) 2 .....................

Rubidium lead molybdenum oxide,Rb2Pb(Mo04 ) 2 .....................

Rubidium magnesium chromium oxide,Rb2Mg2 (Cr04 ) 3 ....................

Rubidium magnesium chromium oxidehydrate, Rb 2Mg(Cr04 ) 2 -6H20 .......

Rubidium magnesium sulfate,Rb 2Mg2 (S04 ) 3 .....................

Rubidium magnesium sulfatehydrate, Rb2Mg(S04 ) 2 *6H20 ........

Rubidium manganese(II) fluoride,RbMnF3 ...........................

Rubidium manganese sulfate,Rb2Mn2 (S04 ) 3 .....................

Rubidium nickel(II) chloride,RbNiCl 3 ..........................Rubidium nickel sulfate,Rb2Ni 2 (S04 ) 3 .....................

Rubidium nickel sulfate hydrate,Rb2Ni(S04 ) 2 -6H20 .................Rubidium nitrate, RbN03 (trigonal) Rubidium platinum chloride,Rb2PtCl 6 .........................Rubidium platinum fluoride, Rb2PtF6 Rubidium selenate, Rb2Se04 ........Rubidium silicon fluoride, Rb2SiF6 Rubidium strontium chloride,RbSrCl 3 ..........................Rubidium strontium chromium oxide,Rb 2Sr(Cr04 ) 2 .....................

Rubidium strontium sulfate,Rb 2Sr(S04 ) 2 ......................

Rubidium sulfate, Rb2S04 ..........Rubidium tellurium bromide,Rb2TeBr6 .........................

Rubidium tellurium chloride,Rb 2TeCl 6 .........................Rubidium tin chloride, Rb2SnCl 6 ... Rubidium zinc fluoride, RbZnF3 ....Rubidium zinc sulfate hydrate,Rb2Zn(S04 ) 2 -6H20 .................

Ruthenium, Ru .....................Ruthenium titanium, RuTi ..........Samarium arsenate, SmAs04 .........Samarium arsenide, SmAs ...........Samarium chloride, SmCl 3 ..........Samarium chloride oxide, SmOCl ....Samarium fluoride, SmF3 ...........Samarium oxide, Sm203 (cubic) .....Samarium silver, SmAg .............

8m

10m

8m8m

15m2m4

14m

8m

14m

15m

8m

8m

7m

8m

5m

7m

6m

8m

8m 5m

56

9m 6

7m

15m

15m 8

86

7m

7m 4

6m 4m 4m 1m 1m 1m 4m 5m

59

47

6163623143

33

64

34

63

66

68

50

70

44

52

58

72

7445

53484449

54

64

6548

46

484657

555

8633684043413473

Samarium tin oxide, Sm2Sn20 7 ......Samarium vanadium oxide, SmV04 , ... Scandium arsenate, ScAs04 .........Scandium arsenide, ScAs ...........Scandium boride, ScB2 .............Scandium oxide, Sc 203 .............Scandium phosphate, ScP04 .........Scandium silicate (thortveitite) ,Sc 2Si20 7 .........................

Selenium, Se ......................Selenium oxide (selenolite) , Se02 Silicon, Si .......................Silicon, Si (reference standard) . . Silicon nitride, 0-Si 3N4 ..........Silicon nitride, p-Si 3N4(calculated pattern) .............

Silicon oxide (a or lowcristobalite), Si02 (tetragonal)

Silicon oxide (a or lowcristobalite), Si02 (tetragonal)(calculated pattern) .............

Silicon oxide (quartz, low), a-Si02 Silicon oxide, Of or low quartz,Si02 (hexagonal) .................

Silicon oxide (|3 or highcristobalite) , Si02 (cubic) ......

Silver, Ag ........................Silver, Ag (reference standard) ... Silver arsenate, Ag3As0 4 ..........Silver arsenic sulfide,xanthoconite, Ag3AsS3 ............Silver bromate, AgBr0 3 ............Silver bromide (bromargyrite) , AgBr Silver carbonate, Ag2C03 ..........Silver chlorate, AgC103 ...........Silver chloride (chlorargyrite) ,AgCl .............................Silver chromium oxide, Ag2Cr04 ....Silver cyanide , AgCN ..............Silver fluoride, Ag2F .............Silver iodate , AgI04 ..............Silver iodide (iodargyrite) , Agl(hexagonal) ......................

Silver iodide, y-Agl (cubic) ......Silver manganese oxide, AgMn04 ....Silver mercury iodide, 0-Ag2HgI 4 .. Silver molybdenum oxide, Ag2Mo04 .. Silver nitrate, AgN03 .............Silver nitrite, AgN02 .............Silver oxide, Ag20 ................Silver(II) oxide nitrate, Ag 708N03 Silver phosphate, Ag3P04 ..........Silver rhenium oxide, AgRe04 ......Silver selenate, Ag2Se04 ..........Silver sodium chloride,

Silver sulfate, Ag2S04 ............Silver sulfide (acanthite) , Ag2S .. Silver terbium, AgTb ..............Silver thiocyanate, AgCNS .........Silver thulium, AgTm ..............Silver yttrium, AgY ...............Sodium , Na ........................Sodium aluminum chloride silicate,sodalite, Na 8Al 6Cl 2 (Si04 ) 6 .......

Sodium aluminum fluoride (chiolite),Na 5Al 3F 14 ........................

8m5m4m4m17m

38

7m 57m

13m 12m 18m

10

15m 18m

1 1

8m 5

8m 5 4

13m 7

412m 9m 5m9

89

7m17m

7551m458

2m

8m13ro105m16m5m5m9m

7m

16m

77473568662750

585460352

59

14m 116

48

18061

24

42232

56

12657463644

4430485349

5148155674559604561625332

79375174627475

105

158

63

94

Vol. or Sec. Page

Sodium aluminum oxide, p-NaA102 .., Sodium aluminum sulfate hydrate(soda alum), NaAl(S04 ) 2 -12H20 ....

Sodium azide, a-NaN3 , at -90 to-100 C ..........................

Sodium azide, p-NaN3 ..............Sodium beryllium calcium aluminumfluoride oxide silicate, meliphanite,

(Ft). 7 5^6. 25) ....................Sodium beryllium calcium fluoridesilicate , leucophanite ,NaBeCaFSi206 ....................Sodium borate, NaBQ2 .............Sodium borate, Na2B407 ...........Sodium borate, Na2B80 13 ..........Sodium borate hydroxide hydrate(borax), Na2B405 (OH) 4 -8H20 ......

Sodium boron hydride , NaBfi4 ......Sodium bromate , NaBr03 ...........Sodium bromide , NaBr .............Sodium bromide chloride,

Sodium bromide chloride,NaBr. 67Cl. 33 .....................Sodium calcium aluminum fluoridehydrate, thomsenolite,NaCaAlF6 -H20 .....................

Sodium calcium carbonate hydrate,pirssonite, Na2Ca(C03 ) 2 *2H20 ..... Sodium calcium phosphate, p-NaCaP04 Sodium calcium silicate, Na2CaSi04 Sodium calcium sulfate (glauberite) ,Na2Ca(S04 ) 2 ......................Sodium carbonate hydrate (thermo-natrite) , Na2C03 *H20 .............Sodium carbonate sulfate, Na 4C03S04 Sodium carbonate sulfate (burkeite),

Sodium carbonate sulfate,

Sodium carbonate sulfate,Nae(C03 ) 2S04 .....................Sodium chlorate , NaC103 ...........Sodium chlorate, NaC104(orthorhombic) ...................

Sodium chlorate hydrate,NaC104 -H20 .......................Sodium chloride (halite), NaCl ....Sodium chromium oxide, Na 2Cr04 ....Sodium chromium oxide hydrate,Na2 Cr04 *4H20 .....................Sodium chromium oxide hydrate,Na2Cr207 '2H20 ....................Sodium chromium oxide sulfate,Na4 (Cr04 )(S04 ) ...................Sodium cobalt nitrite, Na3Co(N02 ) 6 Sodium cobalt (II) sulfate hydrate,Na2Co(S04 ) 2 -4H20 .................Sodium cyanate , NaCNO .............Sodium cyanide, NaCN (cubic)Sodium cyanide, NaCN (orthorhombic) at 6 C ..........................Sodium fluoride (villiaumite) , NaF Sodium hydrogen carbonate hydrate, trona, Na3H(C03 ) 2 -2H20 ...........

18m

15m

8m 8m

8m 18m 16m7m

16m 9 5 3

llm

llm

9m 15m 10m

6m

8 llm

llm

llm

llm 3

17m2

9m

9m

7m

llm 15m

6m2m

1

11

15m

62

68

129130

8m 135

1386364160

66516547

49

50

8m 132

1066948

59

5451

52

53

5451

49

684148

50

62

5570

613378

7963

71

Sodium hydrogen fluoride , NaHF2 ... Sodium hydrogen phosphate,Na3H(P03 ) 4 .......................Sodium hydrogen silicate hydrate,Na 2H2Si04 *4H20 ...................Sodium hydrogen sulfate hydrate,NaHS04 -H20 .......................Sodium hydroxide , NaOH at 300 C . . Sodium iodate , NaI03 ..............Sodium iodate , Nal04 ..............Sodium iodate hydrate, NaI03 *H20 .. Sodium iodide , Nal ................Sodium iron fluoride, Na 3FeF6 .....Sodium lanthanum fluoride silicate,(Na2La 8 )F2 (Si04 ) 6 ................

Sodium lanthanum molybdenum oxide,NaLa(Mo04 ) 2 ......................Sodium magnesium aluminum boronhydroxide silicate, dravite,NaMg3Al6B3 (OH) 4Si 6027 ............Sodium magnesium carbonate(eitelite), Na2Mg(C03 ) 2 ..........

Sodium magnesium sulfate(vanthof f ite) , Na6Mg(S04 ) 4 .......

Sodium magnesium sulfate hydrate,bloedite, Na 2Mg(S04 ) 2 -4H20 .......Sodium magnesium sulfate hydrate(loeweite), Na 12Mg7 (S04 ) 13 -15H20

Sodium manganese (II) fluoride,NaMnF3 ...........................Sodium manganese sulfate hydrate,Na l2Mn7 (S04 ) 13 -15H20 .............Sodium mercury (II) chloride hydrate,NaHgCl3 -2H20 .....................Sodium molybdenum oxide , Na 2Mo04 . . Sodium molybdenum oxide, Na 2Mo20 7 Sodium neodymium fluoride silicate,(Na2Nds )F2 (Si04 ) 6 ................

Sodium nickel (II) sulfate hydrate,Na 2Ni(S04 ) 2 -4H20 .................Sodium niobium oxide (lueshite),NaNb03 ...........................Sodium nitrate (soda niter) , NaN03 Sodium nitrite, NaN02 .............Sodium nitrosyl iron cyanidehydrate, Na2 (NO)Fe(CN) 5 -2H20 .....

Sodium oxide , Na20 ................Sodium phosphate, Na 3P309 .........Sodium phosphate hydrate,Na 3P309 -H20 ......................Sodium phosphate hydrate,a-Na4P40 12 '4H20 (monoclinic) ..... Sodium phosphate hydrate,P~Na 4P40 12 «4H20 (triclinic) ......

Sodium phosphate hydrate,

Vol. orSec. Page

5 63

10m 130

7m 163

Sodium praseodymium fluoride silicate, (Na2Pr8 )F2 (Si04 ) 6 ......

Sodium selenate, Na2Se04 ..........Sodium selenide, Na2Se ............Sodium silicate, a(III), Na2Si205 .Sodium silicate, p-Na 2Si 205 .......Sodium silicon fluoride (malladrite) , Na2SiF6 ............

Sodium sulfate, Na 2S04 ............Sodium sulfate (thenardite) , Na 2S04

9m4m77

17m4

9m

7m

10m

3m

llm

15m

6m

14m

6m

14m

6m1m 9m

7m

6m

18m64

18m10m3m

3m

13m

2m

5m

7m 9m10m 8m10m

16mllm

2

52694748733154

64

49

47

56

72

63

35

65

37

6646110

66

68

645062

6613449

50

39

35

54

6855135141136

685759

95

Vol. orSec. Page

Sodium sulfate hydrate,Na2S 20 3 -5H2 0 .....................Sodium sulfide, Na 2S ..............Sodium sulfite, Na 2S03 ............Sodium telluride, Na 2Te ...........Sodium tin fluoride, NaSn2F5 ......Sodium titanium oxide, Na 2Ti 30 7 ... Sodium tungsten oxide, Na 2W04 .....Sodium tungsten(VI) oxide hydrate,Na 2W04 -2H20 ......................Sodium vanadium oxide, cr~NaV03 ....Sodium vanadium oxide, p-NaVQ3 ....Sodium zinc fluoride, NaZnF3 ......Sodium zinc sulfate hydrate,Na2Zn(S04 ) 2 -4H20 .................Sodium zirconium fluoride,Na 7 Zr6F31 ........................Strontium aluminum hydroxide,Sr3Al 2 (OH) 12 .....................

Strontium aluminum oxide, Sr3Al 206 Strontium arsenate, Sr3 (As04 ) 2 ....Strontium azide, Sr(N3 ) 2 ..........Strontium borate, SrB204 ..........Strontium borate, SrB40 7 ..........Strontium bromate hydrate,Sr(Br0 3 ) 2 -H20 ....................Strontium bromide fluoride, SrBrF Strontium bromide hydrate,SrBr2 »6H20 .......................

Strontium carbonate (strontianite),SrC03 ............................

Strontium chloride, SrCl 2 .........Strontium chloride fluoride, SrCIF Strontium chloride hydrate,SrCl 2 -2H20 .......................

Strontium chloride hydrate,SrCl 2 -6H20 .......................

Strontium chloride hydroxidephosphate, Sr5Cl >65 (OH), 35 (P04 ) 3 Strontium chromium oxide, SrCr20 7 Strontium chromium oxide, Sr2Cr04 Strontium chromium oxide hydrate,SrCr20 7 -3H20 .....................

Strontium fluoride, SrF2 ..........Strontium hydroxide, Sr(OH) 2 ......Strontium hydroxide hydrate,Sr(OH) 2 *H20 ......................

Strontium hydroxide hydrate,Sr(OH) 2 -8H20 .....................

Strontium indium hydroxide,Sr3In2 (OH) 12 .....................Strontium iodide hydrate,SrI 2 *6H20 ........................

Strontium iron oxide, SrFe 12Oj9 ... Strontium manganese oxide,SrMn03 (cubic) ...................

Strontium manganese oxide,SrMn03 (hexagonal) ...............

Strontium molybdenum oxide, SrMo04 Strontium nitrate, Sr(N03 ) 2 .......Strontium oxide, SrO ..............Strontium oxide, Sr02 .............Strontium oxide hydrate, Sr02 *8H20 Strontium phosphate, cr-Sr2P20 7 ....Strontium phosphate, cr-Sr3(P04 ) 2 . . Strontium scandium oxide hydrate,Sr3Sc 206 -6H20 ....................

17m10m

310m7m

16m1m

2m 18m 18m6m

6m

8m

10m 10m 2m 8m 3m 4m

17m 10m

34

10m

lira

4

llm 17m 16m

17m5

13m

13m

13m

6m

8 18m

10m

10m7

12m56

llm llm llm

6m

74140601411666947

33676874

72

144

5052361465336

7654

60

564055

58

58

607771

796741

42

43

76

5869

56

5850316852616264

78

Vol. orSec. Page

Strontium silicate, Sr3Si05 ....... 13m 44Strontium sulfate (celestite), SrS04 2 61 Strontium sulfide, SrS ............ 7 52Strontium telluride, SrTe ......... 4m 69Strontium tin oxide, SrSn03 ....... 8m 80Strontium titanium oxide, SrTi03 .. 3 44 Strontium tungsten oxide, SrW04 ... 7 53 Strontium tungsten oxide, Sr2W05 .. 12m 32 Strontium vanadium oxide, Sr3 (V04 ) 2 15m 73 Strontium zirconium oxide, SrZr03 . 9 51 Sulfamic acid, H2NS03H ............ 7 54Sulfur, S (orthorhombic) .......... 9 54Tantalum, Ta ...................... 1 29Tantalum silicide, TaSi 2 .......... 8 59Tellurium, Te ..................... 1 26Tellurium(IV) oxide (paratellurite),Te02 (tetragonal) ................ 7 56

Tellurium(IV) oxide, paratellurite,Te02 (tetragonal) ................ 10 55Tellurium(IV) oxide, tellurite,Te02 (orthorhombic) .............. 9 57Terbium arsenate, TbAs04 .......... 3m 54Terbium arsenide, TbAs ............ 5m 75Terbium nitride, TbN .............. 4m 70Terbium phosphide, TbP ............ 5m 76Terbium selenide, TbSe ............ 5m 76Terbium sulfide, TbS .............. 5m 77Terbium telluride, TbTe ........... 5m 77Terbium vanadium oxide, TbV04 ..... 5m 56Thallium, a-Tl .................... 16m 73Thallium aluminum sulfate hydrate,T1A1(S04 ) 2 -12H20 ................. 6 53

Thallium(I) arsenate, Tl3As04 ..... 2m 37Thallium azide, T1N3 .............. 8m 82Thallium(I) bromate, TlBr03 ....... 8 60Thallium bromide, TIBr ............ 7 57Thallium cadmium sulfate,Tl2Cd 2 (S04 ) 3 ..................... 8m 83Thallium(I) chlorate, T1C104 ...... 2m 38Thallium(I) chlorate, T1C103 ...... 8 61Thallium(I) chloride, T1C1 ........ 4 51Thallium chromium oxide, Tl 2Cr04 .. 3m 54 Thallium chromium sulfate hydrate,TlCr(S04 ) 2 -12H20 ................. 6 55

Thallium cobalt sulfate,Tl2Co2 (S04 ) 3 ..................... 8m 85

Thallium cobalt sulfate hydrate,Tl 2Co(S04 ) 2 *6H20 ................. 7m 70Thallium copper sulfate hydrate,Tl 2Cu(S04 ) 2 -6H20 ................. 7m 72Thallium fluoride, T1F ............ 16ro 74Thallium gallium sulfate hydrate,TlGa(S04 ) 2 -12H20 ................. 6 57

Thallium(I) iodate, T1I03 ......... 8 62Thallium(I) iodide, Til(orthorhombic) ................... 4 53

Thallium iron sulfate hydrate,Tl 2Fe(S04 ) 2 -6H20 ................. 8m 87

Thallium lead sulfate,Tl 2Pb(S04 ) 2 ...................... 15m 74Thallium magnesium chromium oxide,Tl2Mg2 (Cr04 ) 3 .................... 8m 89

Thallium magnesium sulfate hydrate,Tl 2Mg(S04 ) 2 -6H20 ................. 7m 74Thallium manganese sulfate,Tl 2Mn2 (S04 ) 3 ..................... 7m 76Thallium nickel sulfate hydrate,Tl 2Ni(S04 ) 2 -6H20 ................. 7m 78

96

Vol. orSec. Page

Thalliura(I) nitrate, T1N03 ........Thallium oxide (avicennite), T1 203 Thallium(III) oxide, T1203 .........Thallium(I) phosphate, T1 3P04 .....ThalliuiD(III) phosphate, T1P04 ....Thallium platinum chloride,Tl2PtCl6 .........................

Thallium silicon fluoride, Tl 2SiF6 Thallium strontium sulfate,Tl2Sr(S04 ) 2 ......................

Thallium(I) sulfate, T1 2S04 .......Thallium(I) thiocyanate, TICKS ....Thallium tin chloride, Tl 2SnCl6 ... Thallium(I) tungsten oxide, T1 2W04 Thallium zinc sulfate hydrate,Tl2Zn(S04 ) 2 -6H20 .................

Thorium arsenide, ThAs ............Thorium carbide, ThC ..............Thorium nitrate hydrate,Th(N03 ) 4 -5H20 ...................Thorium oxide (thorianite), Th02 .. Thulium arsenate, TmAs04 ..........Thulium arsenide, TmAs ............Thulium nitride, TmN ..............Thulium oxide, Tm203 ..............Thulium telluride, TmTe ...........Thulium vanadium oxide, TmV04 .....Tin, Cf-Sn (cubic) .................Tin, 0-Sn (tetragonal) ............Tin arsenide, SnAs ................Tin arsenide, Sn3>8As 3 ............Tin chloride hydrate, SnCl2 -2H20 .. Tin(II) fluoride, SnF2 ............Tin hydrogen phosphate, SnHP04 ....Tin(IV) iodide, SnI 4 ..............Tin(II) oxide (romarchite), SnO ... Tin(IV) oxide (cassiterite), Sn02 Tin sulfide (berndtite), p-SnS2 ... Tin(II) telluride, SnTe ...........Titanium, Ti ......................Titanium carbide, TiC .............Titanium(III) oxide, Ti0 1<515 .....Titanium oxide (anatase), Ti02 ....Titanium oxide, brookite, Ti02(orthorhombic) ...................

Titanium oxide (rutile), Ti02 .....Titanium silicide, Ti 5Si 3 .........Titanium sulfide, TiS2 ............Titanium sulfide, Ti2S ............Tungsten, W .......................Tungsten, W (reference standard) .. Tungsten oxide, W02 ...............Tungsten sulfide (tungstenite), WS 2 Uranium nitride, UN ...............Uranium oxide, UO .................Uranium oxide (uraninite), U02 ....Uranium selenide, USe .............Uranium telluride, UTe ............Vanadium, V .......................Vanadium(V) oxide (shcherbinaite),V205 .............................Vanadium sulfide, a-V3S ...........Vanadium sulfide, p-V3S ...........Ytterbium arsenate, YbAs04 ........Ytterbium arsenide, YbAs ..........Ytterbium nitride, YbN ............

616m

277

56

15m6861m

7m4m18m

18m 1

3m4m4m9

4m5m21

4m15m17m3m13m

541

9m 7 3

18m9

7m

3m 7m8

4m 8m1

8m 18m

818m 5m2

5m 4m 9m

814m14m4m4m4m

5877285859

7056

7559635448

807071

72575671715872571224377684514671285457614

735982

57836472

149282

7465757833787358

66118120387374

Vol. orSec. Page

Ytterbium oxide, Yb203 ............ 6m 80Ytterbium selenide, YbSe .......... 5m 79Ytterbium telluride, YbTe ......... 5m 79Ytterbium(III) vanadium oxide, YbV04 5m 58 Yttrium, Y ........................ 18m 77Yttrium arsenate, YAs04 ........... 2m 39Yttrium arsenide, YAs ............. 4m 74Yttrium chloride oxide, YC10....... 1m 51Yttrium oxide, Y203 ............... 3 28Yttrium phosphate (xenotime), YP04 8 67 Yttrium sulfide, YS ............... 5m 80Yttrium telluride, YTe ............ 4m 75Yttrium titanium oxide, Y2Ti05 .... llm 113Yttrium vanadium oxide, YV04 ...... 5m 59Zinc, Zn .......................... 1 16Zinc aluminum oxide (gahnite),ZnAl204 .......................... 2 38

Zinc ammine bromide, Zn(NH3 ) 2Br2 llm 68 Zinc ammine chloride, Zn(NH3 ) 2Cl 2 10m 59 Zinc antimony oxide, ZnSb 204 ...... 4m 39Zinc borate, Zn4B60 13 ............. 13m 48Zinc carbonate, smithsonite, ZnC03 8 69 Zinc chlorate hydrate,Zn(C104 ) 2 -6H20 .... .'.............. 16m 79

Zinc chromium oxide, ZnCr204 ...... 9m 59Zinc cobalt oxide, ZnCo204 ........ 10m 60Zinc cyanide, Zn(CN) 2 ............. 5 73Zinc fluoride, ZnF2 ............... 6 60Zinc fluoride hydrate, ZnF2 '4H20 .. llm 69 Zinc germanium oxide, Zn2Ge04 ..... 10 56Zinc hydroxide silicate hydrate,hemimorphite, Zn4 (OH) 2Si 20 7 -HgO .. 2 62 Zinc iodide, ZnI 2 ................. 9 60Zinc iron oxide (franklinite),ZnFe204 .......................... 9m 60

Zinc manganese oxide (hetaerolite),ZnMn204 .......................... 10m 61

Zinc molybdenum oxide, Zn2Mo 308 ... 7m 173 Zinc nitrate hydrate,a-Zn(N03 ) 2 *6H20 .................. 12m 36Zinc oxide (zincite), ZnO ......... 2 25Zinc phosphate, a-Zn3 (P04 ) 2 ....... 16m 80Zinc phosphate, p-Zn3 (P04 ) 2 ....... l6ra 81Zinc phosphate, Y-Zn3 (P0 4 ) 2 ....... 16m 83Zinc phosphate hydrate (hopeite),Zn3 (P04 ) 2 -4H20 ................... 16m 85

Zinc selenide, ZnSe ............... 3 23Zinc silicate (willemite), Zn2Si04 7 62 Zinc silicon fluoride hydrate,ZnSiF6 -6H20 ...................... 8 70

Zinc sulfate (zinkosite), ZnS04 ... 7 64 Zinc sulfate hydrate (goslarite),ZnS<V7H20 ....................... 8 71

Zinc sulfide (wurtzite), or-ZnS(hexagonal) ...................... 2 14

Zinc sulfide (sphaelerite), p-ZnS(cubic) .......................... 2 16

Zinc telluride, ZnTe .............. 3m 58Zinc tin oxide, Zn2Sn04 ........... 10m 62Zinc titanium oxide, ZnTi03 ....... 13m 49Zinc titanium oxide, Zn2Ti04 ...... 12m 37Zinc tungsten oxide (sanmartinite),ZnW04 ............................ 2m 40

Zirconium, Of-Zr ................... 2 11Zirconium fluoride, ZrF4 .......... 18m 79Zirconium hydride, ZrH2 ........... 5m 60

97

Vol. or Sec. Page

Zirconium iodate, Zr(I03 ) 4 ........ 1m 51Zirconium nitride, ZrN ............ 5m 80Zirconium oxide, ZrO .............. 5m 81Zirconium oxide chloride hydrate,ZrOCl2 *8H20 ...................... 18m 81

Zirconium phosphide, ZrP .......... 4m 75Zirconium silicate, zircon, ZrSi04 4 68 Zirconium silicide, ZrSi2 ......... 17m 86Zirconium sulfate hydrate(zircosulfate), Zr(S04 ) 2 -4H20 ..,. 7 66

98

CUMULATIVE ORGANIC FORMULA INDEX

Vol. or Sec. Page

CHI3CH4N20CH4N2SCHSN02CH5N3 -HC1CH5N3SC2Ag204C2Fe04 -2H20C2HNa04 »H20C2H2Ca04C2H204 -2H20C2H204PbC2H204SrC2H204Sr-2H20C2H3K04C2H3Na02 -3H20

C2H5N02C2H7N02C2H8N204 *H20C2K204 -H20C2Li204C2Na204C 204Rb2 *H202C3H7N02C3H7N02SC3H10C1NC4H3K08 -2H20C4H4Ca05 -2H20C4H4KNa06 -4H20C4H4N08Y-H20C4H4Na 206 -2H20C4H6Co04 -4H20C4H6Hg2 04C4H6Ni04 *4H20C4H604Zn*2H20C4H606C4H606U*2H20C4H7N30C4H8N808C4H8N808C4H8N808

C4H8N808

C4H22B20

C 5H4N403 C5H7CuN04 -2H20 C 5H7N04Zn-2H20 C 5H8NNa04 *H20

C 5H1204C6H3N307C6H5N02C6H602C6H8Cl2N4ZnC6H8N2 -HC1C6H806C6H12N4C6H1206C6H1206C6HlsHo0 12S3 -9H20

lodoformUreaThioureaAmmonium formateGuanidinium chlorideThiosemicarbazideSilver oxalateIron oxalate hydrate (humboldtine)Sodium hydrogen oxalate hydrateCalcium formateOxalic acid hydrateLead formateStrontium formateStrontium formate hydrate (orthorhombic)Potassium formate-formic acid complexSodium acetate hydrateGlyoximeOf-GlycineAmmonium acetateAmmonium oxalate hydrate (oxammite)Potassium oxalate hydrateLithium oxalateSodium oxalateRubidium oxalate perhydrateL-AlanineL-CysteineTrimethylammonium chloridePotassium hydrogen oxalate hydrateCalcium malate hydratePotassium sodium tartrate hydrateAmmonium yttrium oxalate hydrateSodium D-tartrate hydrateCobalt acetate hydrateMercury acetateNickel acetate hydrateZinc acetate hydrateD-Tartaric acidUranyl acetate hydrateCreatininecr-HMXp-HMXOctahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine, alpha-

Octahydro-1,3,5, 7-tetranitro-1,3,5,7-tetrazocine, beta-

bis-(o-Dodecacarborane) Uric acid, phase 1 (calc. pattern) Uric acid, phase 1 Copper glutamate hydrate Zinc glutamate hydrate Sodium glutamate hydrate p-L-Glutamic acid Pentaerythritol Picric acid Nicotinic acid Y-Hyd roquinone Zinc diimidazole chloride Phenylhydrazine hydrochloride L-Ascorbic acid Hexamethylenetetramine Dextrose cr-D-Glucose Holmium ethylsulfate hydrate

18m7

17mllm17m17m9m10m17m

816m

888

9m15m8m17m8m7

9m10m6m9m8mllm9m17m10m15m8mllm12m17m13m18m7m

18m15mllmllm

3461839

35814724721655305556936610234955

39347010293861136076559711019513178

1687631

100102

llm

llm6m8m16m7m7m17m17m17m16m16m8m7m17m8m17mllmllm1m

100

1027

154781101707032555654107123569937282818

99

Vol. or Sec. Page

C6H 15Nd0 12 S3-9H20C 7H 5Br02C 7H 5C10 2C 7H 5F02C 7H9N02 SC 7H 1204C 8H4Hg204C 8H 5K0 4C8H504T1C 8H7N30 7C 8H803C 8H9NOC8H9NO

C 8H 12N203

C 10H 16 C1NO CnH!6N 20 3C 11 H 18N2 3

*2HC1 Ci 2H 12N20 3 C 12H 16Cl 2 CuN8 C 12H 16Cl 2N8Ni

C 12H220 11

C 13H21C1N202 C 13H21N204P

C 16H 13C1N 20Cie^isNC 17H 19C1N 2 SCi 7H2 oClN03 -3H20C 17H22C1N04C 17H26C1NC 18H22BrN03 -2H20

C 19H22C1N04 -2H20

C 2 ()H2 6 ̂ 1NO 3 C20H34

C21H23C1FN02c2iHao 2C22H25C1N2OS-2H2 0 C22H3Q04 C24H32N202Pd

Neodymium ethylsulfate hydrateo-Bromobenzoic acidm-Chlorobenzoic acidp-Fluorobenzoic acidMethyl sulfonanilidePimelic acidMercury o-phthalatePotassium hydrogen o-phthalateThallium hydrogen phthalate2,4,6-Trinitrophenetolep-Anisic acidAcetanilide (calc. pattern)AcetanilideSodium barbitalBarbital, form IBarbital, form IIBarbital, form IVMetharbitalAllobarbital(-)-Ephedrine hydrochlorideVinbarbital, form IAmobarbital, form IAmobarbital, form IIAzobenzeneBenzidine hydrochloridePhenobarbital, form IIICopper tetrapyrazole chlorideNickel tetrapyrazole chlorideCopper tetraimidazole nitrate(N,N)-DimethyltryptamineBufoteninePsilocinSucroseHexamethylenediammonium adipateProcaine hydrochloridePsilocybin methanolate4-Acetyl-2'-fluorodiphenylMethapyrilene hydrochloridep-CarbamazepineDibenzoylmethaneDiazepamN-Phenyl-2-naphthylamineChlorpromazineMorphine hydrochloride hydrateL-Cocaine hydrochloridePhencyclidine hydrochlorideCodeine hydrobromide hydrateCadmium hexaimidazole nitrateNickel hexaimidazole nitrate(+)-Amphetamine sulfateNaloxone hydrochloride hydrateCinchonineImipramine hydrochlorideBenactyzine hydrochloridea-Dihydrophyllocladene, hartite(or bombiccite)

Haloperidol Cannabidiol Clopenthixol hydrate A9-Tetrahydrocannabinolic acid B Palladium bis-(N-isopropyl-3-ethylsalicylaldiminate)

N-Methylphenazinium-7,7,8,8-tetracyanoquinodimethanide

Reserpine

916m16m16m9m7m

10m4m16m8m16m14m16m16m15m15m15m15m14m16m16m15m15m7m18m16m8m8m13m14m15m16mlira7m

16m16m8m14m18m7m

14m6m14m16m16m16m16m8m7m

15m16m17m16m16m

16m16m16m17m16m

4122303678

1531133075

15211387

157126128130177411241621141178614

144314424

1091331526612114915491

11224

11510629601331141411172327

1191362612992

12212711128160

7m

7m 8m

144

146123

100

CUMULATIVE ORGANIC NAME INDEX

Vol. or Sec. Page

Acetanilide Acetanilide4-Acetyl-2'-fluorodiphenyl Alanine, L- Allobarbital Amobarbital, form I Amobarbital, form II Ammonium acetate Ammonium formateAmmonium oxalate hydrate (oxammite) Ammonium yttrium oxalate hydrate Amphetamine sulfate, (+)- p-Anisic acid Ascorbic acid, L- Azobenzene Barbital, form I Barbital, form II Barbital, form IV Benactyzine hydrochloride Benzidine hydrochloride o-Bromobenzoic acid BufotenineCadmium hexaimidazole nitrate Calcium formate Calcium malate hydrate Cannabidiol Carbamazepine, p- m-Chlorobenzoic acid Chlorpromazine CinchonineClopenthixol hydrate Cobalt acetate hydrate Cocaine hydrochloride, L- Codeine hydrobromide hydrate Copper glutamate hydrate Copper tetraimidazole nitrate Copper tetrapyrazole chloride Creatinine Cysteine, L- Dextrose Diazepam DibenzoylmethaneDihydrophyllocladene, Of-, hartite (or bombiccite)(N,N)-Dimethyltryptamine bis-(o-Dodecacarborane) Ephedrine hydrochloride, (-)- p-Fluorobenzoic acid Glucose, (Y-D- Glutamic acid, p-L- Glycine, Of- GlyoximeGuanidinium chloride HaloperidolHexamethylenediammonium adipate Hexamethylenetetramine HMX, a- HMX, p-Ho1miurn ethylsulfate hydrate Hydroquinone, Y- Imipramine hydrochloride lodoform

C8H9NO (calc. pattern)C8H9NOCi 4HnFOCH3CHNH2 C02H

H20

C 11H 18N203C 11H18N203NH4 -CH3C02NH4HC02(NH4 ) 2 C 204NH4Y(C204 ) 2 *H20

C8H803

C 6H 5NNC 6H 5C8H12N20 3

C 20H26C1N03Cj 2H^ 2N2 *2HC1C 7H5Br02C 12H 16N20Cd(C3H4N2 ) 6 (N0 3 ) 2Ca(HC02 ) 2Ca(02C) 2 (CH2CHOH)-2H20

C 7H5C102C i 7H jgCl

C 22H25C1N2OS-2H2 0 Co(C 2H302 ) 2 -4H20 C i 7n22ClN04C 18H22BrN03 -2H20Cu(02 C) 2 (H2NCHCH2 CH 2 )-2H2 0Cu(C 3H 4N2 ) 4 (N03 ) 2Cu(C3H4N2 ) 4Cl 2C 4H7N 30HSCH2 -CH(NH2 )-COOHCeHi 206C 16H 13C1N20(C6H 5CO) 2CH2

C 12H 16N2

C 4B2 QH22C 10H 16C1NOC 7H5F02c eHi 20 6C 5H9N04C2H 5N02H2 C 2 (NOH) 2CH5N3 -HC1

(CH2 ) 4 (C02H3N) 2 (CH2 ) 6

C4H8N808 C4H8N808Ho[(C 2H5 )S04 ] 3 -9H20 HOC 6H4OH

CHI 3

14m16m8m8m14m15m15m8mllm

78m15m16m8m7m15m15m15m16m18m16m15m8m8

10m16m18m16m14m17m17m12m16m16m7m13m8m15mllmllm14m7m

16m14m6m16m16mllm17m17m8m17m16m7m

17mllmllm1m8m16m18m

387

9193411141179595

97119119986126128130921422133231676

111243060262819

1141171102431318628106115

122109

712436283234

1023512712137

10010218

10712934

101

Iron oxalate hydrate (hmnboldtine)Lead formateLithium oxalateMercury acetateMercury o-phthalateMethapyrilene hydrochlorideMetharbitalMethyl sulfonanilideN-Methylphenazinium-7,7,8,8-tetra-cyanoquinodimethanide

Morphine hydrochloride hydrate Naloxone hydrochloride hydrate 2-Naphthylamine, N-phenyl- Neodymium ethylsulfate hydrate Nickel acetate hydrate Nickel hexaimidazole nitrate Nickel tetrapyrazole chloride Nicotinic acid Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (a-HMX)

Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (0-HMX)

Oxalic acid hydrate Palladium bis-(N-isopropyl-3-ethylsalicylaldiminate)

Pentaerythritol Phencyclidine hydrochloride Phenobarbital, form III Phenylhydrazine hydrochloride Picric acid Pimelic acidPotassium formate-formic acid complex Potassium hydrogen o-phthalate Potassium hydrogen oxalate hydrate Potassium oxalate hydrate Potassium oxalate perhydrate Potassium sodium tartrate hydrate Procaine hydrochloride PsilocinPsilocybin methanolate ReserpineRubidium oxalate perhydrate Silver oxalate Sodium acetate hydrate Sodium barbital Sodium glutamate hydrate Sodium hydrogen oxalate hydrate Sodium oxalate Sodium D-tartrate hydrate Strontium formate Strontium formate hydrate SucroseTartaric acid, D- A9-Tetrahydrocannabinolic acid B Thallium hydrogen phthalate Thiosemicarbazide ThioureaTrimethy1ammonium chloride 2,4,6-Trinitrophenetole Uranyl acetate hydrate UreaUric acid, phase 1, (calc. pattern) Uric acid (phase 1) Vinbarbital, form I Zinc acetate hydrate Zinc diimidazole chloride Zinc glutamate hydrate,

FeC204 -2H20Pb(HC02 ) 2Li2C204

C6H4 (C02Hg) 2 C 14H20C1N3S

C6H5NHS02CH3

C 17H20C1N03 -3H20 C 19H22 C1N04 -2H20

Nd[(C2H 5 )S04 ] 3 -9H20Ni(C2H302 ) 2 -4H20Ni(C3H4N2 ) 6 (N03 ) 2Ni(C3H4N2 ) 4 Cl 2C 6H 5N02

C4H8N808 C 2H204 -2H20

Pd(C 12H 16NO) 2C 5H12°4C 17H26C1NC 12H 12N203C 6H8N2 -HC1C 6H3N30 7(CH2 ) 5 (C02H) 2K02CH-H02CHC 6H4 (COOH)(COOK)C4H3K08 *2H2 0K2C 204 -H20K2 C20 4 *H202C 4H4KNa06 -4H20C i 3H2 j C1N202C 12H 16N20

Rb 2C204 -H202Ag2C 20 4C 2H3Na02 '3H20C 8HnN2Na03C 5H8NNa04 -H2 0C2HNa0 4 *H2 0Na 2 C 204(CHOH-C02Na) 2 -2H20Sr(CH02 ) 2Sr(CH02 ) 2 *2H20 (orthorhombic)Ci 2H220 11(CHOHC02H) 2

C 8H504T1CH5N3SCH4N2 S(CH3 ) 3NHC1C2H5OC 6H2 (N0 2 ) 3C 4H606U-2H20CO(NH2 ) 2 C 5H4N403 C5H4N40 3C 11H16N2°3C 4H604 -2H20 Zn(C3H4N2 ) 2 Cl 2 Zn(02CCHNH2CH2 CH2C02 ) -2H20

Vol. or Sec.

10m8

10m 17m 10m 14m 15m 9m

7m 16m 16m6m9

13m7m8m 16m

llm

Page

2430345111311217778

146133136294131274454

100

llm16m

7m17m16m16m17m16m7m9m4m17m9m9m15m16m16m16m8m9m9m15m16m17m17m6mllm

88

lira7m

16m16m17m17m9m8m18m

78m16m16m18m7m7m

10255

144551411445656153933060399655

1491521541231024766

157707270

1105556661681607581831131527661

15478

16278

123170

102

CUHULATIVE MINERAL INDEX

Vol. or Sec. Page

Acanthite, Ag2S .................... 10 51Aeschynite CeNbTi06 ............... 3m 24Alabandite, MnS ................... 4 11Anatase, Ti02 ..................... 7m 82Andradite, Ca 3Fe2Si3012 ........... 9 22Anglesite, PbS04 .................. 3 67Anhydrite, CaS04 .................. 4 65Antarcticite, CaCl 2 -6H20 .......... 12m 16Antimony, Sb ...................... 3 14Aphthitalite, K3Na(S04 ) 2 .......... 6m 52Aragonite, CaC03 .................. 3 53Aragonite, CaC03 (calculated pattern) 14m 44Arcanite, K2S04 ................... 3 62Arsenic, As ....................... 3 6Arsenolite, As 203 ................. 1 51Aurostibite, AuSb 2 ................ 7 18Avicennite, T1 203 ................. 16m 77*Azurite, Cu3 (OH) 2 (C03 ) 2 .......... 10 30*Bahianite, Al 5 . 66Feo.o9Sb2 .9 50 16 . 16m 87Baryte, BaS04 ..................... 10m 12Bassanite, CaS04 -0.5H20 ........... 18m 22Berlinite, A1P04 .................. 10 3Berndtite, SnS2 ................... 9m 57*Beryl, Be 3Al 2 Si 60 18 .............. 9 13Bischofite, MgCl 2 *6H2 0 ............ llm 37Bismite, a-Bi 203 .................. 3m 17Bismoclite, BiOCl ................. 4 54Bismuth, Bi ....................... 3 20Bismuthinite, Bi 2 S 3 ............... 5m 13Bixbyite, a-Mn203 ................. llm 95*Bloedite, Na 2Mg(S0 4 ) 2 *4H20 ....... 6m 63Boehmite, A1 203 *H20 ............... 3 38*Bombiccite, C 20H34 ................ 16m 122Borax, Na2B40 5 (OH) 4 -8H20 .......... 16m 66Bromargyrite, AgBr................. 4 46Bromellite, BeO ................... 1 36*Brookite, Ti02 ................... 3m 57Brownmillerite, Ca 4Al 2Fe 20 10 ...... 16m 28Brucite, Mg(OH) 2 .................. 6 30Bunsenite, NiO .................... 1 47Burkeite, Na 6C03 (S04 ) 2 ............ llm 52*Butlerite, Fe(OH)S04 -2H20 ........ 10m 95Cadmoselite, CdSe ................. 7 12Calcite, CaC03 .................... 2 51Calomel, Hg2Cl 2 ................... 13m 30Carnallite, KMgCl 3 *6H20 ........... 8m 50Carobbiite, KF .................... 1 64Cassiterite, Sn02 ................. 1 54Celestite, SrS04 .................. 2 61Cerianite, Ce02 ................... 1 56Cerussite, PbC03 .................. 2 56Cervantite, Sb 204 ................. 10 8Chalcocyanite, CuS04 .............. 3m 29Chernovite, YAs04 ................. 2m 39Chiolite, Na 5Al 3F 14 ............... 16m 63Chloraluminite, A1C1 3 -6H20 ........ 7 3Chlorargyrite, AgCl ............... 4 44Chloromagnesite, MgCl 2 ............ llm 94Chromatite, CaCr04 ................ 7 13Chrysoberyl, BeAl 204 .............. 9 10Cinnabar, HgS ..................... 4 17Claudetite, As 20 3 ................. 3m 9Clausthalite, PbSe ................ 5 38

Natural mineral

Vol. or Sec. Page

Clinobisvanite, BiV04 ............. 3m 14Copper, Cu ........................ 1 15Cordierite, Mg2Al 4Si 50 18 .......... 1m 28Corundum, A1 203 ................... 9 3Cotunnite, PbCl 2 .................. 12m 23Covellite, CuS .................... 4 13Cristobalite (a or low) Si02(tetragonal) ..................... 10 48

Cristobalite (a or low) Si02(tetragonal, calculated pattern) 15m 180

Cristobalite (£ or high) Si02 (cubic) 1 42Cryolithionite, Li 3Na 3Al2F 12 ...... 9m 23Cryptohalite, (NH4 ) 2SiF6 .......... 5 5Cuprite, Cu20 ..................... 2 23*Derbylite, SbFe4Ti 30 13 (OH) ....... 16m 89^Diamond, C ................. ...... 2 5*Diaspore, A1 203 *H20 .............. 3 41Diopside, CaMg(Si03 ) 2 ............. 5m 17*Dravite, NaMg3Al 6B3Si 6027 (OH) 4 ... 3m 47Eitelite, Na 2Mg(C03 ) 2 ............. llm 56Elpasolite, K2NaAlF6 .............. 9m 43*Enstatite, MgSi03 ................ 6 32Epsomite, MgS04 *7H20 .............. 7 30Eriochalcite, CuCl 2 '2H20 .......... 18m 33Erythrosiderite, K2FeCl 5 'H20 ...... 14m 27Eskolaite, Cr203 .................. 5 22Ettringite, Ca 6Al 2S30 18 *31H20 ..... 8 3Fairchildite, K2Ca(C03 ) 2 .......... 8m 48Fluorapatite, Ca 5F(P04 ) 3 .......... 3m 22Fluorite, CaF2 .................... 1 69Forsterite, Mg2Si04 ............... 1 83Franklinite, ZnFe 204 .............. 9m 60Fresnoite, Ba2TiSi 208 ............. 9m 14Gahnite, ZnAl 204 .................. 2 38Galaxite, MnAl204 ................. 9 35Galena, PbS ....................... 2 18Gaspeite, NiC03 ................... 1m 36Geikielite, MgTi03 ................ 5 43Gersdorffite, NiAsS ............... 1m 35Glauberite, Na 2Ca(S04 ) 2 ........... 6m 59Gold, Au .......................... 1 33Goslarite, ZnS04 *7H20 ............. 8 71Greenockite, CdS .................. 4 15*Groutite, MnO(OH) ................ llm 97Gypsum, CaS0 4 -2H20 ................ 17m 16Halite, NaCl ...................... 2 41"Hartite, C20H34 ................... 16m 122Hausmannite, Mn304 ................ 10m 38Hematite, a-Fe203 ................. 18m 37*Hemimorphite, Zn4 (OH) 2Si20 7 -H20 .. 2 62Hetaerolite, ZnMn204 .............. 10m 61*Hexahydroborite, Ca[B(OH) 4 ] 2 *2H20 16m 104Hieratite, K2SiF6 ................. 5 50Hopeite, Zn3 (P04 ) 2 -4H20 ........... 16m 85Huebnerite, MnW04 ................. 2m 24Humboldtine, FeC204 *2H20 .......... 10m 24Humite, Mg7F2 Si 30 12 ............... 1m 30Hydromolysite, FeCl3 -6H 20 ......... 17m 40Hydrophilite, CaCl 2 ............... llm 18Ilmenite, FeTi03 .................. 15m 34Indialite, Mg2Al 4Si 50 18 ........... 1m 29lodargyrite, Agl .................. 8 51Iron, a-Fe ........................ 4 3Jacobsite, MnFe204 ................ 9 36*Julgoldite, Ca 2Fe3Si 30 10 (OH,0) 2 (OH) 2 10m 72

103

Vol. or Sec. Page

Kalistrontite, K2Sr(S04 ) 2 ......... Urn 31Kieserite, MgS04 *H20 .............. 16m 46Kremersite, (NH4 ,K) 2FeCl 5 -H20 ..... 14m 8Langbeinite, K2Mg2 (S04 ) 3 .......... 6m 40Lautarite, Ca(I03 ) 2 ............... 14m 12Lead, Pb .......................... 1 34*Leucophanite, NaCaBeFSi206 ....... 8ra 138Libethenite, Cu2 (OH)P04 ........... 17m 30*Liddicoatite, Ca(Li,Al) 3Al 6B3Si6027(0,OH) 3 (OH,F) .................... 16m 42

Lime, CaO ......................... 1 43Lime, CaO (calculated pattern) .... 14m 49*Linarite f CuPb(OH) 2 (S04 ) ......... 16m 34Litharge, PbO (red) ............... 2 30Lithiophosphate, Li 3P04 ........... 4m 21Loellingite, FeAs 2 ................ 10 34Loeweite, Na 12Mg 7 (S04 ) 13 -15H20 .... 14m 35Lopezite, K2Cr20 7 ................. 15m 47*Loveringite, Ca <72RE >33 (Y,Th,U,

Pb) i0 5Ti i2.48Fe 3 . 38Cr2<24Mg a92Zr <58Al, 39V <2 iMn.040.38 ......... 16m 106

Lueshite, NaNb03 .................. 18m 64Macedonite, PbTi03 ................ 5 39Magnesiochromite, MgCr204 ......... 9 34Magnesite, MgC03 .................. 7 28Magnetite, Fe304 .................. 5m 31Malachite, Cu2 (OH) 2 C03 ............ 10 31Malladrite, Na 2SiF6 ............... 16m 68Manganolangbeinite, K2Mn2 (S04 ) 3 ... 6m 43Manganosite, MnO .................. 5 45Marshite, Cul ..................... 4 38Mascagnite, (NH4 ) 2S04 ............. 9 8Massicot, PbO (yellow) ............ 2 32Matlockite, PbFCl ................. 13m 25Matteuccite, NaHS04 -H20 ........... 9m 52Mayenite, Ca 12Al 14033 ............. 9 20Melanterite, FeS04 7H20 ........... 8m 38*Meliphanite,Na. 63Ca U37BeAl >13Si 1>S706 .25F.75 8m 135

Metaborite, HB02 .................. 4m 27Metacinnabar, HgS ................. 4 21Miargyrite, AgSbS2 ................ 5m 49*Millerite, NiS ................... 1m 37Minium, Pb304 ..................... 8 32Mitscherlichite, K2CuCl4 *2H20 ..... 9m 34Molybdenite, MoS2 ................. 5 47Molybdite, Mo03 ................... 3 30Monteponite, CdO .................. 2 27Montroydite, HgO .................. 9 39Mullite, Al6Si 20 13 ................ 3m 3Nantokite, CuCl ................... 4 35*Newberyite, MgHP04 *3H20 .......... 7m 139Niter, KN03 ....................... 3 58Nitrammite, NH4N03 ................ 7 4Nitrobarite, Ba(N03 ) 2 ............. llm 14Norbergite, Mg3F2Si04 ............. 10 39Oldhamite, CaS .................... 7 15Otavite, CdC03 .................... 7 11Oxammite, (NH4 ) 2 C204 -H20 .......... 7 5Palladium, Pd ..................... 1 21Palladseite, Pd 17Se 15 ............. 16m 139Palmierite, K2Pb(SQ4 ) 2 ............ 14m 30Paraguanajuatite, Bi 2Se 3 .......... 18m 16*Paratellurite, Te02 .............. 10 55Paratellurite, Te02 ............... 7 56Periclase, MgO .................... 1 37Perovskite, CaTi03 ................ 9m 17

Vol. or Sec. Page

6H20

*Phenakite, Be2Si04 ...............Picromerite, K2Mg(S04 ) 2 -6H20 ......*Pirssonite, Na2Ca(C03 ) 2 -2H20 .....Platinum, Pt ......................Portlandite, Ca(OH) 2 ..............Potash alum, KA1(S04 ) 2 -12H20 ......Powellite, CaMo04 .................Pyrargyrite, Ag3SbS3 ..............Pyrite, FeS 2 ......................*Pyroaurite, Mg6Fe2C03 (OH) 16 -4H20 Pyrolusite, 0-Mn02 ................Pyrope, Mg3Al 2 (Si04 ) 3 .............Pyrophanite, MnTi03 ...............*Quartz, Si02 (a or low) ..........Quartz, low, Of-Si02 ...............Rammelsbergite, NiAs 2 .............Retgersite, NiS04 *6H20 ............Rhodochrosite, MnC03 ..............Rokuhnite, FeCl 2 *2H20 .............Romarchite, SnO ...................*Roscherite, (monoclinic),

Be2Ca(Fe. 3Mg. 7 ) 2Al. 67 (P04 ) 3 -2H20*Roscherite, (triclinic), Be4Ca 2(Mn3 eiMg(P04 ) 6 (OH) 4 -

Rutile, Ti02 Safflorite, CoFeAs 4 ..............Salammoniac, NH4C1 ...............Sanbornite, p-BaSi 20 5 ............Sanmartinite, ZnW04 ..............Scacchite, MnCl2 .................*Scheelite, CaW04 ................Schultenite, PbHAs04 .............Selenium, Se .....................Selenolite, Se02 .................Sellaite, MgF2 ...................Senarmontite, Sb203 ..............Shcherbinaite, V20 5 ..............*Siderite, FeC03 .................Silver, Ag .......................Silver, Ag (reference standard) ..*Sjogrenitc > Mg6Fe 2C03 (OH) 16 -4H20 Skutterudite, CoAs 3 ..............*Smithsonite, ZnC03 ..............Soda alum, NaAl(S04 ) 2 -12H20 ......*Sodalite, Na 8Si6Al 6024Cl2 .......Soda niter, NaN03 ................Sphaerocobaltite, CoC03 ..........Sphalerite, ZnS ..................Spinel, MgAl204 ..................Stibnite, Sb2 S3 ..................Stilleite, ZnSe ..................Stolzite, PbW04 ..................Strontianite, SrC03 ..............Struvite, MgNH4P04 -6H20 ..........Sulfur, S (orthorhombic) .........Sylvite, KC1 .....................Syngenite, K2Ca(S04 ) 2 *H20 ........Szmikite, MnS04 -H20 ..............Tellurantimony, Sb 2Te s ...........*Tellurite, Te02 .................Tellurium, Te ....................Tellurobismuthite, Bi2Te3 ........Tenorite, CuO ....................Teschemacherite, NH4HC03 .........Thenardite, Na2S04 ...............Thermonatrite, Na2C03 -H20 ........

88m9m1166

5m5

10m10m4m15m

318m1077

llm4

115410631583622512910439244224614236323228

16m

16m7m101

13m2m8m 6

14m 5

7m 4 3 8

15m 1

8m 10m108

15m7m 6

10 2

9m 5 3

5m 3

3m 9 1

14m 16m3m 9 1

3m 1 9 2 8

96

1008328591040432318546033316632232

103216968158502416256

23345641546525498

572616495

5954

104

Vol. orSec. Page

*Thomsenolite, NaCaAlF6 -H20 ....... 8m 132Thorianite, Th02 .................. 1 57Thortveitite, Sc 2Si 20 7 ............ 7m 58Tiemannite, HgSe .................. 7 35Tin, Cf-Sn (cubic) ................. 2 12Tin, p-Sn (tetragonal) ............ 1 24*Topaz, Al2Si04 (F,OH) 2 ............ 1m 4Trevorite, NiFe204 ................ 10 44Trippkeite, CuAs 204 ............... 16m 120*Trona, Na 3H(C03 ) 2 -2H20 ........... 15m 71Tschermigite, NH4A1(S04 ) 2 -12H20 ... 6 3Tungstenite, WS2 .................. 8 65Unnamed mineral,Ki.i 6B8. 72Fe.36 Tis.ssOia ........ 16m 147

Uraninite, U02 .................... 2 33Uvarovite, Ca 3Cr2 (Si04 ) 3 .......... 10 17*Valentinite, Sb203 ............... 10 6Vanthoffite, Na6Mg(S04 ) 4 .......... 15m 72Villiaumite, NaF .................. 1 63Vivianite, Fe3 (P04 ) 2 *8H20 ......... 16m 38Wakefieldite, YV04 ................ 5m 59Willemite, Zn2 Si04 ................ 7 62Witherite, BaC03 .................. 2 54Wulfenite, PbMo04 ................. 7 23Wurtzite, ZnS ..................... 2 14*Xanthoconite, Ag3AsS 3 ............ 8m 126Xenotime, YP04 .................... 8 67Yavapaiite, KFe(S04 ) 2 ............. 16m 59Zinc, Zn .......................... 1 16Zincite, ZnO ...................... 2 25Zinkosite, ZnS04 .................. 7 64*Zircon, ZrSi04 ................... 4 68Zircosulfate, Zr(S04 ) 2 *4H20 ....... 7 66

*U.S. GOVERNMENT PRINTING OFFICE : 1981 0-340-997/ 1826

105

NBS-114A (REV. 2-80

U.S. DEPT. OF COMM.

BIBLIOGRAPHIC DATASHEET (See instructions)

1. PUBLICATION OR REPORT NO.

Monogr. 25—Sect.

2. Performing Organ. Report No. 3. Publication Date

October 19814. TITLE AND SUBTITLE

Standard X-ray Diffraction Powder Patterns

Section 18 - Data for 58 Substances

5. AUTHOR(S) Marlene C. Morris, Howard F. McMurdie, Eloise H. Evans, Boris Paretzkin, Harry S. Parker, Nicolas C. Panagiotopoulos, and Camden R. Hubbard

6. PERFORMINGORGANIZATION (If joint or other than NBS. see mstruct/ons)

NATIONAL BUREAU OF STANDARDS DEPARTMENT OF COMMERCE WASHINGTON, D.C. 20234

JCPDS - International Centrefor Diffraction Data

Swarthmore, PA 19081

7. Contract/Grant No.

8. Type of Report & Period Covered

Final

9. SPONSORING ORGANIZATION NAME AND COMPLETE ADDRESS (Street. City. State, ZIP)

10. SUPPLEMENTARY NOTES

Library of Congress Catalog Card Number: 53-61386

QJ Document describes a computer program; SF-185, FlPS Software Summary, is attached.11. ABSTRACT (A 200-word or less factual summary of most significant information, if document includes a significant

bibliography or literature survey, mention it here)

Standard x-ray powder diffraction patterns are presented for 58 substances. These experimental patterns, useful for identification, were obtained by diffractometer methods. The lattice constants were refined by least-squares methods, and reflections were assigned Miller indices consistent with space group extinctions. Relative intensities, calculated densities, literature references, and other relevant data are included.

12. KEY WORDS (Six to twelve entries; alphabetical order; capitalize only proper names; and separate key words by semicolons)

Crystal structure; densities; lattice constants; powder patterns; reference intensities; standard; x-ray diffraction.

13. AVAILABILITY

20 Unlimited

[ j For Official Distribution. Do Not Release to NTIS5§ Order From Superintendent of Documents, U.S. Government Printing Office, Washington, D C

20402.

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14. NO. OFPRINTED PAGES

110

15. Price

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Penalty for Private Use $300

POSTAGE AND FEES PAIDUS DEPARTMENT OF COMMERCE

COM-215

THIRD CLASS

NBS25-18

Documents

Transcript of NBS25-18