E^l Admin.

NBS MONOGRAPH 25—SECTION 5

Refecii^M not to be

^ferlrom the library.

Standard X-ray Diffraction

Powder Patterns

^\

/ U.S. DEPARTMENT OF COMMERCE

S NATIONAL BUREAU OF STANDARDS
THE NATIONAL BUREAU OF STANDARDS

The National Bureau of Standards^ provides measurement and technical information services

essential to the efficiency and effectiveness of the work of the Nation's scientists and engineers. The

Bureau serves also as a focal point in the Federal Government for assuring maximum application of

the physical and engineering sciences to the advancement of technology in industry and commerce. To

accomplish this mission, the Bureau is organized into three institutes covering broad program areas of

research and services:

THE INSTITUTE FOR BASIC STANDARDS . . . provides the central basis within the United

States for a complete and consistent system of physical measurements, coordinates that system with the

measurement systems of other nations, and furnishes essential services leading to accurate and uniform

physical measurements throughout the Nation's scientific community, industry, and commerce. This

Institute comprises a series of divisions, each serving a classical subject matter area: —Applied Mathematics—Electricity—Metrology—Mechanics—Heat—Atomic Physics—Physical

Chemistry—Radiation Physics— -Laboratory Astrophysics^—Radio Standards Laboratory,^ which

includes Radio Standards Physics and Radio Standards Engineering—Office of Standard Refer- ence Data.

THE INSTITUTE FOR MATERIALS RESEARCH . . . conducts materials research and provides

associated materials services including mainly reference materials and data on the properties of materials. Beyond its direct interest to the Nation's scientists and engineers, this Institute yields services

which are essential to the advancement of technology in industry and commerce. This Institute is or- ganized primarily by technical fields: —Analytical Chemistry—Metallurgy—Reactor Radiations—Polymers—Inorganic Materials—Cryogenics-—Office of Standard Reference Materials.

THE INSTITUTE FOR APPLIED TECHNOLOGY . . . provides technical services to promote the use of available technology and to facilitate technological innovation in industry and government. The

principal elements of this Institute are: —Building Research—Electronic Instrumentation—Technical Analysis—Center for Computer Sci- ences and Technology—Textile and Apparel Technology Center—Office of Weights and Measures —Office of Engineering Standards Services—Office of Invention and Innovation—Office of Vehicle

Systems Research—Clearinghouse for Federal Scientific and Technical Information^—Materials

Evaluation Laboratory—NBS/GSA Testing Laboratory.

^ Headquarters and Laboratories at Gaithersburg, Maryland, unless otherwise noted; mailing address Washington, D. C,

20234.

2 Located at Boulder, Colorado, 80302.

3 Located at 5285 Port Royal Road, Springfield, Virginia 22151.
UNITED STATES DEPARTMENT OF COMMERCE

Alexander B. Trowbridge, Secretary

National Bureau of Standards . A. V. Astin, Director

Standard X-ray Diffraction

Powder Patterns

H. E. Swanson, H. F. McMurdie, M. C. Morris,

and E. H. Evans

National Bureau of Standards Monograph 25 — Section 5

Issued August 31, 1967

For sale by the Superintendent of Documents, U.3. Government Printing Office Washington , D. C.

, 20402 - Price 55 cents
Library of Congress Catalog Card Number: 53-61386
Contents

Page

Introduction 1 Reference Intensity Values 4

Standard x-ray powder patterns:

*Ammonium Cadmium Trichloride,

NHiCdCla (orthorhombic) 6

*Ammonium Manganese(II) Trifluoride,

NH4MnF3 (cubic) 8

Ammonium Mercury(II) Trichloride,

NH4HgCl3 (tetragonal) 9

Barium Aluminum Oxide, BaAljO-i

(hexagonal) 11

Bismuth Sulfide** (bismuthinite)

Bi2S3 (orthorhombic) (revised) 13

Cadmium Chromite, CdCr 2 O4 (cubic) 16

Calcium Magnesium Silicate (diopside),

CaMg(Si03)2 (monoclinic) 17

*Cesium Cadmium Trichloride, CsCdCla

(hexagonal) 19

*Cesium Calcium Trichloride, CsCaCla

(cubic) 21

*Cesium Copper(Il) Trichloride, CsCuCla

(hexagonal) 22

*Cesium Lead(ll) Trichloride, CsPbCls

(tetragonal) 24

Chromium Fluoride Trihydrate,

CrF3 .3H2O (monoclinic) 25

*Cobalt Antimony Oxide, CoSbzOs (tetragonal) 26

*Copper Antimony Oxide, CuSbjOg (monoclinic) 27

*Erbium Vanadate, ErV04 (tetragonal).... 29

*Gadolinium Vanadate, GdV04 (tetragonal) 30

Iron( 11,111) Oxide (magnetite), FesO*

(cubic) 31

Lead Oxybromide, PbjOaBrj (orthorhombic) 32

Lead Tungstate (stolzite), PbW04

(tetragonal) (revised) 34

*Lithium Barium Trifluoride, LiBaFj

(cubic) 35

*Lutetium Arsenate, LuAsO 4 (tetragonal) 36

*Lutetium Vanadate, LuV04 (tetragonal).. 37

*Potassium Cadmium Trichloride, KCdClg

(orthorhombic) 38

*Praseodymium Vanadate, PrV04 (tetragonal) 40

*Rubidium Cadmium Trichloride, low

form, RbCdClj (orthorhombic) 41

*Rubidium Cadmium Trichloride, high

form, RbCdClj (tetragonal) 43

*Rubidium Manganese, Trifluoride,

RbMnF3 (cubic) 44

Rudidium Nitrate, RbNO 3 (trigonal) 45

*Samarium Vanadate, SmV04 (tetragonal) 47

*Silver Antimony Sulfide, AgSbS2 (cubic).. 48

*Not previously listed in Powder Diffraction File. **A mineral name in parentheses indicates a synthetic

sample.

Page

Silver Antimony Sulfide (miargyrite)

AgSbSa (monoclinic) 49

Silver Antimony Sulfide (pyrargyrite)

AgjSbSs (trigonal) 51

Silver SulDfluoride, Ag2F (hexagonal) 53

*Sodium Hexametaphosphate Hexahydrate,

NagPsOia .6H2O (orthorhombic) 54

*Terbium Vanadate, TbV04 (tetragonal)... 56

thulium Vanadate, TmV04 (tetragonal) .. 57

*Ytterbium(ni) Vanadate, YbV04 (tetragonal) 58

Yttrium Vanadate, YVO4 (tetragonal) 59

*Zirconium Dihydride, ZxH^ (tetragonal) 60

Calculated powder patterns (cubic):

*Antimony Terbium, SbTb 61

*Barium Selenide, BaSe 61

*Beryllium Cobalt, BeCo 62

*Beryllium Palladium, BePd 62

Cadmium Cerium, CdCe 63

Cadmium Lanthanum, CdLa 63

Cadmium Praseodymium, CdPr 64

*Calcium Selenide, CaSe 64

Cerium Magnesium, CeMg 65

Cerium Zinc, CeZn 65

*Dysprosium Gold, DyAu 66

*Dysprosium Silver, DyAg 66

*Erbium Silver, ErAg 67

*Gadolinium Indium, Gdin 67

=^old Holmium, AuHo 68

*Holmium Silver, HoAg 68

Lanthanum Magnesium, LaMg 69

*Lanthanum Phosphide, LaP 69

Lanthanum Zinc, LaZn 70

*Magnesium Selenide, MgSe , 70

*Neodymium Selenide, NdSe 71

*Neodymium Silver, NdAg 71

Palladium Hydride, PdHo.706 72

Praseodymium Zinc, PrZn 72

Rubidium Amide, RbNHj 73

Samarium Silver, SmAg 73

Silver Terbium, AgTb 74

Silver Thulium, AgTm 74

Silver Yttrium, AgY 75

Terbium Arsenide, TbAs 75

Terbium Phosphide, TbP 76

Terbium Selenide, TbSe 76

Terbium Sulfide, TbS 77

Terbium Telluride, TbTe 77

Uranium Oxide, UO 78

Uranium Selenide, USe 78

Ytterbium Selenide, YbSe 79

Ytterbium Telluride, YbTe 79

Yttrium Sulfide, YS 80

Zirconium Nitride, ZrN 80

Zirconium Oxide, ZrO 81

Cumulative index to Circular 539, Volumes

1, 2, 3, 4, 5, 6, 7, 8, 9, 10, and Monograph

25, Sections 1, 2, 3, 4, and 5 82

Cumulative mineral index 89

iii
Errata

Monograph 25, Section 5

Circular 539

Vol. 1, p. 55; In the last column, the 7th entry should be 1 = 17, (for d = 1.675).

Vol. 2, p. 28; The space group should be Tj-laS; the reference for it is:

L. Pauling, and M. D. Shappell, The crystal structure of bixbyite and the

C-modification of the sesquioxides, Z. Krist. 75, 128-142 (1930).

Vol. 3, p. 27; The space group should be TJi-laS, from Pauling and Shappell,

(ibid).

Vol. 3, p. 28; The space group should be Th-la3, from Pauling and Shappell,

(ibid).

Vol. 6, p. 12; The space group should be DH -Pmcn.

Vol. 8, p. 23; The line in the table reading: 503 1.5386 10 should follow the line:

610 1.5532 7. Vol. 8, p. 25; The space group should be la3 (No. 206), from the reference:

L. Pauling and M. D. Shappell, The crystal structure of bixbyite and the

C-modification of the sesquioxides, Z. Krist. 75, 128-142, (1930).

Monograph 25

Sec. 2, p. 23; The first two hkl entries for the pattern should be 002 and 102,

STANDARD X-RAY DIFFRACTION POWDER PATTERNS

Information on ten volumes in this series listed as follows is available from Mr. Howard E. Swanson,

Room A221, Materials Building, National Bureau of Standards, Washington, D. C, 20234:

NBS Circular 539, Volume 1, Standard X-ray Diffraction Powder Patterns (Data for 54 substances).

NBS Circular 539, Volume 2, Standard X-ray Diffraction Powder Patterns (Data for 30 substances).

NBS Circular 539, Volume 3, Standard X-ray Diffraction Powder Patterns (Data for 34 substances).

NBS Circular 539, Volume 4, Standard X-ray Diffraction Powder Patterns (Data for 42 substances).

NBS Circular 539, Volume 5, Standard X-ray Diffraction Powder Patterns (Data for 45 substances).

NBS Circular 539, Volume 6, Standard X-ray Diffraction Powder Patterns (Data for 44 substances).

NBS Circular 539, Volume 7, Standard X-ray Diffraction Powder Patterns (Data for 53 substances).

NBS Circular 539, Volume 8, Standard X-ray Diffraction Powder Patterns (Data for 61 substances).

NBS Circular 539, Volume 9, Standard X-ray Diffraction Powder Patterns (Data for 43 substances).

NBS Circular 539, Volume 10, Standard X-ray Diffraction Powder Patterns (Data for 40 substances).

The following four volumes in this series are available from the Superintendent of Documents, U.S.

Government Printing Office, Washington, D. C, 20402, as follows:

NBS Monograph 25, Section 1, Standard X-ray Diffraction Powder Patterns (Data for 46 substances)

40 cents.

NBS Monograph 25, Section 2, Standard X-ray Diffraction Powder Patterns (Data for 37 substances)

35 cents.

NBS Monograph 25, Section 3, Standard X-ray Diffraction Powder Patterns (Data for 51 substances)

40 cents.

NBS Monograph 25, Section 4, Standard X-ray Diffraction Powder Patterns (Data for 103 substances)

55 cents.

Send orders with remittance for the above four Monographs to Superintendent of Documents, U.S. Government Printing Office, Washington, D.C., 20402. Remittance from foreign countries should include an

additional one -fourth of the purchase price for postage.

Those wishing to be notified of future issues should send mailing address to the Government Printing

Office.

iv
STANDARD X-RAY DIFFRACTION POWDER PATTERNS

Section 5.—Data for 80 substances

Howard E. Swanson, Howard F. McMurdie,! Marlene C. Morris, i and Eloise H. Evans^

Standard x-ray diffraction powder patterns are presented for 80 substances. Thirty-nine of these

patterns represent experimental data and 41 are calculated. The experimental x-ray powder dif- fraction patterns are made with a Geiger counter x-ray diffractometer, using samples of high purity. All d-values were assigned Miller indices determined by comparison with theoretical interplanar spacings and from consideration of space group extinctions. The densities and lattice constants were calculated, and the refractive indices were measured whenever possible. The calculated x-ray powder diffraction patterns were obtained from published crystal structure data. The

reported peak height intensities for calculated patterns were converted from integrated intensities. Reference intensity values based upon the strongest line of corundum (113) in a 50 percent weight

mixture are given for 73 materials.

Keywords: standard, x-ray diffraction, powder-patterns, crystal, structure, measurements, lattice, constants, reference-intensities

INTRODUCTION

The X-ray Powder Diffraction File (1965)^ is a compilation of diffraction patterns, gathered from

many sources and produced under the auspices of

the Joint Committee on Chemical Analysis by

Powder Diffraction Methods.^ The File is used

for the identification of unknown crystalline materials by matching d-spacings and intensity measurements. Under the partial sponsorship of the

Joint Committee, a program at the National Bureau

of Standards contributes new data for this File,

Our work also aids in the evaluation and revision

of published x-ray data and in the development of

diffraction techniques. This report presents data

for 80 compounds, 39 experimental and 41 calculated patterns. This compilation is the fifteenth

of the series of "Standard X-ray Diffraction Powder

Patterns.""

Experimental Powder Patterns

Powder Diffraction File Cards. Under this

heading are given the Powder Diffraction File card

numbers and the literature reference for each card.

Cards listed through the 1965 index to the Powder

Diffraction File are included.

Additional published patterns. Literature refer- ences for patterns that have not been published as Powder Diffraction File cards are listed.

iResearch Associate at the National Bureau of Standards

sponsored by the Joint Committee on Chemical Analysis by

Powder Diffraction Methods.

2Dates in brackets indicate the literature references at the end of each section of this paper.

^This committee is composed of members from the American Society for Testing and Materials, the American Crystallographic Association, and the British Institute of Physics.

Financial support is also provided by the National Bureau of Standards,

''See previous page for listing of other published volumes.

NBS sample. Many of the samples used to make

NBS patterns were special preparations of high

purity obtained from a variety of sources or prepared in small quantities in our laboratory. Treating the sample by appropriate annealing, recrystallizing, or heating in hydrothermal bombs improved the definition of most of the patterns.

Unless otherwise noted, the spectrographic analyses were done at NBS after preparation of the

sample was completed. The limit of detection for

the alkali elements was 0.05 percent for the spectrographic analyses. A check of phase purity was

usually provided by the x-ray pattern itself, when

it was indexed by comparison with theoretical

d-values. A microscopic inspection for phase

purity was also made on the nonopaque materials

during the refractive index determination. The

latter was done by grain-immersion methods in

white light, with oils standardized in sodium light,

in the range 1.40 to 2.1.

The names of the sample colors were selected

from the ISCC-NBS Centroid Color Charts (1965).

Structural data. For cubic materials a value for

the lattice constant was calculated for each dvalue. However, the constant reported is that obtained by averaging the constants for the last

five lines because of the greater accuracy of calculation in the high- angle region of the pattern.

The unit cell values for noncubic substances were

determined by means of a least-squares calculation made on the IBM 7094, using those d-values

for which only one set of Miller indices could be

assigned. The number of significant figures re- ported for the d-values in the NBS patterns varies

slightly with the symmetry and crystallinity of

each sample. The indexing and cell refinement

calculation was performed using a program developed by Evans, Appleman, and Handwerker

(1963). Lattice constant errors are given only for

data refined on that program and are based on

least-squares refinement of the variance-covari- ance matrix derived from the unweighted Ae residuals.

1
Published unit cell data in kX units and data given

in angstrom units prior to 1947 were converted

to angstrom units using the factor 1.00202 as rec- ommended by an international conference of crystallographers reported in J. Sci. Instr. (1947).

The space groups are listed with both the Schoenflies and short Hermann-Mauguin symbols as

well as the space group numbers given in the In- ternational Tables for X-ray Crystallography

(1952).

Orthorhombic cell dimensions are presented

according to the Dana convention b>a>c(Dana

System of Mineralogy, 1944).

The densities calculated from the NBS lattice

constants are expressed in grams per cubic centimeter and are computed from the Avogadro number (6.02252 X 10^') and from atomic weights based

on carbon 12 (Chem. Eng. News, 1961).

Intensity measurements. At least three patterns

for intensity measurements were prepared to check

reproducibility. Samples that gave satisfactory

intensity patterns usually had an average particlesize smaller than 10 ^(Alexander et al., 1948).

In order to avoid the orientation effects which

occur when samples are packed or pressed, a sample holder was made that had an extended rectangular cavity opened on its top face and at one end.

To prepare the sample, a glass slide was clamped

over the top face to form a temporary cavity wall

(see fig. 1), The powdered sample was then drifted

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 surface could be

exposed to the x-ray beam (as shown in fig. 2). To

Figure 1

powders that did not flow readily, or were prone

to orient excessively, approximately 50 volume percent of finely ground silica-gel was added as a

diluent. The intensities of the diffraction lines

were measured as peak heights above background

and were expressed in percentages of the intensity

of the strongest line.

Interplanar spacings. Specimens for the interplanar spacing patterns were prepared by packing

into a shallow holder a sample containing approximately 5 wt. percent tungsten powder that served

as an internal standard. When tungsten lines were

found to interfere, 25 percent silver was used in

place of tungsten. If the internal standard correction varied along the length of the pattern, linear

interpolations were used for the regions between

the peaks of the standard. For low values of 2d,

the pattern peak was measured in the center, at a place averaging about 75 percent of the peak height.

For higher values of 2 6, where a.j and peaks

were resolved, the peak was measured in the

same way. The internal standard correction appropriate to each region was then applied to the

measurement of 2e. The new internal standard

lattice constants used were 3.16504 A for tungsten

and 4.08625 A for silver at 25° C, as determined

by Swanson, Morris, and Evans (1966). These

changes increase d- values by a factor of 1.00004

when compared to the d-values obtained with the

older standard samples. All of the NBS patterns,

unless otherwise noted, are made on a diffractometer at 25° C using filtered copper radiation

(KaJ, having the wavelength 1.5405 A. A curved

lithium fluoride crystal monochromator was used

in the preparation of some patterns.

Figure 2

2
Calculated Powder Patterns

Since some substances are not readily available

for experimental work, calculated powder patterns

were made. These were based on published crystal structure data, using a FORTRAN program

developed by Smith (1963).

Lorentz-polarization corrections are included.

No corrections were made for temperature factors or absorption factors. Scattering factor values

without ionization were taken from table 3. 3.1 A

of the International Tables (1962a) for the following elements: beryllium, boron, calcium, cobalt,

hydrogen, magnesium, nitrogen, oxygen, phosphorus, selenium, silver, and sulfur. All other scattering factor values used were taken from table

3.3. IB, International Tables (1962b).

Intensity calculations were based upon copper

wavelength, 1.5405 A. The integrated intensities

printed out from the computer program were converted to peak height values by means of a graph

from Swanson, Morris, Stinchfield, and Evans

(1962). The peak height intensities are tabulated

as percentages of the peak intensity of the strongest

line. Peak height intensities from 0.1 to 0.9 were

recorded as < 1; data with peak height intensities

< 0.1 were omitted. When adjacent 2i9 values were

nearly equal, resolution of individual peaks in the

powder pattern would be unlikely. In that case,

only one angle and its d-spacing are listed, with

multiple hkl's and with the sum of the intensities

of the peaks involved.

Literature references for calculated patterns are compiled at the end of that section.

The authors are indebted to J. H. deGroot for

the preparation of many samples used, and to S. J. Carmel for his assistance on the work particularly

in performing intensity measurements.

REFERENCES

Alexander, L., Klug, H.P., and Kummer. E. (1948) Statistical factors affecting the intensity of x-rays diffracted by

crystalline powders, J. Appl. Phys. 19, No. 8, 742-753. Dana's System of Mineralogy (1944). I, 6 (John Wiley & Sons. New York, 7th ed.). Evans, H. T. Jr., Appleman, D. E., and Handwerker, D. S.

(1963). The least-squares refinement of crystal unit cells with powder diffraction data by an automatic computer indexing method, (abs.) Am. Crystal. Assoc. Annual Meeting, Cambridge, Mass. Program 42-43. Index to the X-ray Powder Diffraction File (1965). American

Society for Testing and Materials, 1916 Race Street, Philadelphia, Pa. 19103.

International Tables for X-ray Crystallography, I (1952).

(The Kynoch Press, Birmingham, England).

Ibid. (1962a). ni 202-209.

Ibid. (1962b). in 210-212.

International Union of Pure and Applied Chemistry, (1961).

Chem. Eng. News Nov. 20, 43. ISCC-NBS Centroid Color Charts, Standard Sample No. 2106,

obtained from the Office of Standard Reference Materials,

Room 8328, Chemistry Building, National Bureau of Standards, Washington, D. C. 20234. $3.00 per set. Smith, D. K. (1963). A FORTRAN program for calculating x- ray powder diffraction patterns, UCRL-7196, University

of California, Lawrence Radiation Laboratory, Livermore, California.

Swanson, H. E., Morris, M. C, and Evans, E. H. (1966). Standard X-ray Diffraction Powder Patterns, Natl. Bur.

Std. U.S. Monograph 25, Sec. 4, 3. Swanson, H. E., Morris, M. C, Stinchfield, R. P., and Evans,

E. H. (1962). Standard X-ray Diffraction Powder Patterns, Natl. Bur. Std. U.S. Monograph 25, Sec. 1, 3. The conversion factor for kX units to angstrom units (1947).

J. Sci. Instr. 24, 27.

3
REFERENCE INTENSITY VALUES

The format of the first Powder Diffraction Cards

issued by the Joint Committee had a space for a reference intensity in which NaCl was used. This

original attempt to establish absolute values started

by the Dow Chemical Co. however was not continued.

In 1961 de Wolff in Holland proposed that a variation of this idea be reconsidered as a help in

evaluating mixtures. We expressed a desire to co- operate in the development of this project. After

several reference materials were examined in both

Delft and NBS labs, a AI2O3 was chosen as an internal standard to be mixed 1:1 by weight. Corundum was picked partly because it is available commercially as Linde "A" in approximately one micron

particle size from Union Carbide Corp., East

Chicago, Ind., and partly because of its chemical

stability and freedom from shape orientation in

sample preparation.

The 1:1 mixture is mounted in our regular intensity sample holder (illust. p. 2) and it is necessary

to run only the portion of the x-ray pattern that includes the strongest line of each compound^ corun- dum (113) , d= 2,085 A was used. The direct ratio

of the heights of the two lines is then reported as

I/I corundum. In & few Instances the strongest line

of one of the materials may fall on a line of the

other. In this case the second strongest line is

measured, and based upon previous knowledge of the

relative peak heights, a correction is made thus enabling one to reconstruct the value for the strongest

line.In this report we are listing 35 I/Icomndum

values for some samples we have worked with in

the past. Data reported from July 1965 has the

I/I ^„undum value included in the text for each

compound. We expect to continue measuring this

value for new data submitted to the PDF.

corundum Values for Some Previously Reported Powder Patterns

Aluminum 3:2 Silicate (muUite), 3AI2O3. 2Si02 (orthorhombic) 1.7

Ammonium Fluoberyllate, (NH^)2BeF^ (orthorhombic) 0.6

Ammonium Fluoborate, NH^BF^ (orthorhombic) ..o... 0.7

Barium Stannate, BaSnOg (cubic) 6.1

Bismuth Orthophosphate, BiPO^ (monoclinic) 4.7

Bismuth Sulfide (bismuthinite), 81283 (orthorhombic) 2.1

Cadmium Telluride, CdTe (cubic) 6.5

Calcium Fluoride Phosphate (fluorapatite), Ca5F(P04)3 (hexagonal).. 1.5

Cesium Chromate, CSjCrO^ (orthorhombic)..... 1.4

Cesium Fluoantimonate, CsSbFg (trigonal) 2.7

Cobalt Silicate, Co^SiO^ (orthorhombic) 0.9

Cobalt Tungstate, CoWO^ (monoclinic).... , , 5.6

Cobalt Titanate, CoTi03 (trigonal) 1.5

|

Erbium Arsenate, ErAsO^ (tetragonal) , 3.1

Europium(lII) Vanadate, EuVO^ (tetragonal) 1.6

4 1
Holmium Arsenate, HoAsO^ (tetragonal) 3.5

Iridium Dioxide, Ir02 (tetragonal) 7.9

Lead Boron Oxide, PbB^O^ (orthorhombic) 2.5

Lithium Phosphate, low form, (lithiophosphate), LigPO^ (orthorhombic) 1.1

Lithium Phosphate, high form, LigPO^ (orthorhombic) , 1.2

Magnesium Ammonium Phosphate Hexahydrate (struvite), MgNH^P04.6H2 0 (orthorhombic) .......... 1.0

Neodymium Arsenate, NdAsO^ (monoclinic) 1.3

Potassium Acid Phthalate, C^H^ (COOH) (COOK) (orthorhombic) 1.4

Potassium Zinc Decavanadate 16 Hydrate, K^ZnjVj^Ojg .l6H20(triclinic) 0.8

Rubidium Chromate, Rb^CrO^ (orthorhombic) 1.6

Samarium Arsenate, SmAsO^j (tetragonal) 5.0

Scandium Arsenate, ScAsO^ (tetragonal) 4.9

Strontium Boron Oxide, SrBjO^ (orthorhombic) 3.1

Strontium Boron Oxide, SrB^O^ (orthorhombic) 1.9

Thallium Chromate, TljCrO^ (orthorhombic) 3.0

Tin Arsenide, SnAs (cubic) 3.5

Tin Fluoride, SnFj (monoclinic) 2.7

Titanium Dioxide, brookite, TiO^ (orthorhombic) 1.1

Zinc Antimony Oxide, ZnSbjO^ (tetragonal) 4.2

Zinc Telluride, ZnTe (cubic) , 9.3

5
Ammoniiim Cadmium Trichloride, NH4CdCl3 (orthorhombic)

Powder Diffraction File cards. None.

Additional published patterns. None.

NBS sample. The sample of ammonium cadmium chloride was precipitated at NBS from

stoichiometric solutions of ammonium chloride and

cadmium chloride.

Spectrographic analysis showed the major impurities to be less than 0.001 percent each of

aluminum, barium, calcium, copper, magnesium,

and silicon.

The sample was colorless and optically positive

with small 2V. Na =1.711, N^ =1,714, and

N^ = 1.748.

I/Ic = 2.5.

Structural data. Brasseur and Pauling (1938)

determined that ammonium cadmium chloride

has the space group -Pnam (No. 62) and

4(NH4 CdClj) per unit cell. Ammonium cadmium

chloride is used as a structure type.

Lattice constants

a(A) b(A) C(A)

Brasseur and

Pauling (1938) 8.98 14.90 3 .98

MacGillavry,

et.al. (1939) 9,02 14.93 3 .97

NBS, sample at

25°C 9.017 14.911 3.9896

The density of ammonium cadmium chloride

calculated from the NBS lattice constants is

2,932 g/cm' at 25° C,

References

Brasseur, H. and Pauling, L. (1938). The crystal structure

of ammonium cadmium chloride, NH4CdCl3, J. Am.

Chem. See. 60 , 2886-2890.

MacGillavry, C.H., Nijveld, H., Dierdorp, S, and Karsten, J. (1939). Die Kristallstruktur von NH^CdClj undRbCdClg,

Rec. trav. chim. 58, 193-200.

Internal standard W, a = 3.16504 A

CuKai k = 1.5405 A; temp. 25 °C

d(A) / hkl 26(°)

7.71 89 110 11.47

7.44 100 020 11.87

5.745 65 120 15.41

4. 509 15 200 19. 67

A "5/10

ft • j4tO cD 130 20 .41

4.316 6 210 20 . 56

3 .857 10 220, Oil 23 .04

3 . 728 4 040 23 .85

3 . 541 43 111 25 . 13

X /

'\ A r\ i4U 25 . 84

3 . 340 27 230 26.67

3.110 5 031 28.68

2 . 987 30 201 29.89

2 . 945 8 310, 131 30.32

z . y J u O D 2 i 1 30 .48

2.873 15 240 31. 10

2.833 15 150 31.55

2.787 12 320 32 . 08

2. 773 58 221 32.25

£. 34.35

2 .573 10 330 34.84

2 .487 10 250, 060 36.09

2.396 25 160 37 . 51

2 .340 2 340 38.44

-Lb 321 39 .40

2 . 255 1 400 39.95

2.158 6 420 41.83

2.117 3 350 42 . 68

2 . Ill 6 251 42.80

z . u / J

A i /u 43 .62

2.053 14 161,430 44.07

2 .018 24 341 44.87

1. 994 11 002 45.45

1. 963 4 401 46.21

1.929 9 47.07

1.927 9 022, 270 47.12

1.915 1 360 47 .44

1.9110 1 261 47.54

1.8978 13 421 47.89

1.8794 6 071 48. 39

1.8642 2 080 48.81

1.83 94 15 171 49.51

1.8253 7 431, 180 49.92

1.7987 3 450 50. 71

1. 7533 2 520 52 . 12
Ammonium Cadmium Trichloride, NH4CdCi3 (orthorhombic)— continued

o Internal standard W, a = 3.16504 A

CuKai \ = 1.5405 A; temp. 25 °C

d (A) I hkl 20(°)

1. 7384 A O "7 n3 /O 5 2.50

1. 7262 A 14 2 , J oi 53.00

1. 7229 A

Hr T o n 53 . 11

1.7125 2 232 53 .46

1.6952 1 530 54.05

1.6598 9 DD . 30

1.6394 oJ 4 3 1 56.0b

1. 6297 J 56.41

1. 6236 3 540 56.64

1.5846 1J. J OU DO . 1 / 1.5811 J ZOX 5cS . J i

1.5601 D J X C Q 1

"7 by . J- / 1.5562 0 c; 0 n ^ 9 b y . 3 J 1 . 5482 1 470 59.67

1. 5436 "1 by . o / 1.5333 oJ 60 . 3 i

1. 5084 -D 1 y 1 6i . 4

1.5032 3 541, 600 61.65

1.4735 3 620

i .4600 1 560 63 .68

1.4515 4 352 64. 10

1.4395 2 551 64.70

1.4371 3 172 64.82

7
Ammonium Manganese (11) Trifluoride, NH.MnF, (cubic)

Powder diffraction cards. None.

Additional published patterns. None.

NBS sample. The sample of ammonium manganese trifluoride was prepared at NBS by R.A.

Forman from saturated solutions of ammonium

fluoride and manganese chloride. The first 10

percent of the crystals were collected and washed

in alcohol. Spectrographic analysis showed the

following major impurities; 0.001 to 0.01 percent

each of aluminum, calcium, iron, and magnesium.

The color of the sample was pinkish white. The

index of refraction was 1.490.

VI corundum = 3.2.

Structural data. Simanov, Batsanova, and Kovba

(1957) determined that ammonium manganese trifluoride has the perovskite structure, the space

group 0J-Pm3m (No. 221) and 1 (NH4MnF3) per

unit cell.

Lattice constants

a(A)

Simanov, Batsanova, and

Kovba (1957) 4.239

Hoppe, Liebe, and Dahne (1961)

4. 241

NBS, sample at 25°C 4. 2410

The density of ammonium manganese trifluoride

calculated from the NBS lattice constant is 2.829

g/cm^ at 25° C.

References

Hoppe, R., Liebe, W., and Dahne, W. (1961). ijber Fluoromanganate der Alkalimetalle, Z. anorg. u. allgem.Chem.

307, 276-289.

Simanov, Yu. P., Batsanova, L.P., and Kovba, L.M. (1957).

X-ray investigation of the binary fluorides of bivalent manganese, Russ. J. Inorg. Chem. 2, 207. (Translated from Zh. Neorgan. Khim. II, No. 10, 2410-2415).

Internal standard w, a = 3.16504 A

CuKai ^ = 1.5405 A; temp. 25 °C

d (A) / hkl 2e(°) a (A)

4.243 100 100 20.92 4.243

3 .000 63 110 29.76 4. 243

2.449 5 111 36.66 4 . 242

2 . 120 57 200 42. 60 4. 240

1 . 896 3 3 210 4 / . yj 4 . 240

1.731 16 211 52.85 4. 240

1.4994 18 220 61.82 4 . 241

1.4135 10 300 66.04 4. 240

1.3414 5 3 10 70.09 4. 242

1 . 2245 5 222 4 . 242

1. 1763 3 3 20 81.81 4.241

1.1334 6 321 85.62 4 . 241

1.0605 3 400 93 . 16 4 . 242

1.0287 5 410 96.96 4 . 2414

0 . 9996 -71 411 4. 2409

.9484 4 420 108.61 4. 2414

.9254 3 421 112.68 4. 2407

.9042 3 332 116.82 4. 2411

. 8657 3 422 125.69 4. 2410

. 8482 2 500 130.48 4. 2410

.8317 4 510 135.67 4. 2409

.8162 2 511 141.37 4. 2411

.7875 3 520 155,94 4. 2408

8
Ammonium Mercury(II) Trichloride, NH4 HgCl3 (tetragonal)

Powder diffraction cards. None.

Additional published patterns. None

NBS sample. The sample of ammonium mercury trichloride was precipitated at NBS from solutions of ammonium chloride and mercury chloride.

Spectrographic analysis showed the only impurity greater than 0.001 percent to be 0.01 to 0.1

percent silicon.

The sample was light gray to colorless, and

optically positive with the indices of refraction

N ,= 1.793 and Ne = 1.84. The higher index could

not be measured accurately because the liquid and

sample reacted.

corundum "~ 3.1,

Structural data. Harmsen (1938) reported that

ammonium mercury trichloride has one of several

tetragonal space groups p*** and ^NH^HgCls)

per unit cell. Ammonium mercury trichloride is

used as a structure type.

Lattice constants

a(A) C(A)

Harmsen (1938) 4.20 7.96

NBS, sample at 25 °C 4.1977 7.9353

±0.0001 ±0.0002

The density of ammonium mercury trichloride

calculated from the NBS lattice constants is 3.859

g/cm^at 25° C.

Reference

Harmsen, E.J. (1938). The crystal structure of NH.HgClj, Z.

Krist. lOOA, 208-211.

Internal standard Ag, a = 4.08625 A

CuKai = 1.5405 A; temp. 25 °C

d (A) / hkl 20{°)

7.93 100 001 11.15

4.200 56 100 21.14

3.967 23 002 22.39

3.711 38 101 23.96

A A X J. w 0 U . U /

2.883 47 102 30.99

2.782 22 111 32.15

2.645 18 003 33.86

2.377 33 112 37.81

9Z • Z9 o Qy -Lo 1 ft

2.099 13 200 43.06

2.029 9 201 44.62

1.983 18 004 45.71

1.974 17 113 45.93

-L . o / / QO

1.855 6 202 49.06

1.827 13 211 49.88'

1.793 10 104 50.88

1. 6966 2 212 54.00

L . o4y± il -) J . by

1 . 6444 9 203 55.86

1.5868 2 005 58.08

1.5308 6 213 60.42

1.4843 3 105, 220 62.52

J- • 43 OO AH z z ±

1.4417 4 204 64.59

1.3994 4 115, 300 66.79

1.3899 5 222 67.31

1.3780 3 301 67.96

X. • J O J D Z ±^ C^Q. OC5 • 7/ Qy

1.3274 2 310 70.94

1.3227 2 006 71. 23

1.3092 3 311 72.08

1.2943 5 223 73.04

1. 2658 2 205 74.96

1„2616 4 106 75. 25

1.2587 4 312 75,46

1.2366 2 303 77.05

1.2116 1 215 78.95

1.2081 2 116 79.22

9
Ammonium Mercury(II) Trichloride, ISiH^ iigCls (tetragonal) -Con.

o Internal standard Ag, a = 4.08625 A

CuKa, ^ = 1.5405 A; temp. 25 °C

d (A) / hkl 2e(°)

1.1881 4 224 80.83

1. 1865 3 313 80.96

1 . 1646 2 320 82.81

1 . 1518 3 321 83.94

1. 1434 z

1.1333 1 007 85.63

1 . 1190 2 206 87.00

1 . 1032 2 314 88.56

1 .0944 2 107 89.47

1 . 0837 2

o 0 c; Z ZD on c Q yu . oy

1.0810 2 216 90.88

1 .0656 2 323 92.58

1 .0590 2 117 93 .33

1 . 0496 2 305,400 94.42

1 o 0184 J

1.0095 3 411 99.46

1 . 0043 2 3 24 100.16

0 . 9975 2 207 101. 10

. 9920 1 008 101.88

. ^ O -/ J 2 J3U iU2 . ZD

.9874 3 226 102.54

3 403 104.28

.9706 3 217 105.05

. 9655 3 108 105.84

.9612 3 306 106.51

.9502 1 413 108.32

.9408 3 118 109.91

10
Barium Aluminum Oxide, BaAl204 (hexagonal)

Powder Diffraction File cards. No. 2-0545,

Wallmark and Westgren (1937).

Additional published patterns. None.

NBS sample. The sample of barium aluminum

oxide was prepared at NBS from gamma alumina

and barium carbonate. The mixture was heated

at 1200°C for 1 and 1/2 hrs.

Spectrographic analysis showed the following

major impurities; 0.01 to 0.1 percent each of

calcium, silicon, and vanadium.

The sample was colorless and had very low

double refraction. The average index of refraction was approximately 1.675.

corundum ~ 4«4o

Structural data. Wallmark and Westgren (1937)

determined that barium aluminum oxide has the

space group D^-P63 22 (No, 182).

Arlett, White, and Robbins (1967) found a doubling

of the a axis and 8(BaAl204) per unit cell.

Lattice constants

a(A) C(A)

Wallmark and Westgren

[1937] 5.220 8.779

Glasser and Dent Glasser

[1963] 5.228 8, 756

Do Dinh and Bertaut

[1965] 5.227 8,802

Arlett et al, [1967] 10.444 8.793

NBS, sample at 25°C 10.4470 8.7940

±.0001 ±.0002

The density of barium aluminum oxide, calculated from the NBS lattice constants is 4.080

g/cm^ at 25 °C,

Additional published patterns. Do Dinh and

Bertaut (1965).

o Internal standard Ag, a = 4.08625 A

CuKai ^= 1.5405 A; temp. 25 °C

o T

1 hkl

4. 525 45 200 19.60

4.001 6 002 20, 16

4.022 10 201 22,08

3. 153 100 202 28, 28

^ • O X J- 220 34,31

2.505 3 221 35,81

2.461 2 203 36.48

2.413 <1 311 37,23

2.262 11 400 39.81

Z . Zft O ^ ~j 22 2 40 . 11

2. 199 10 004 41.01

2, 136 <1 104 42.28

2.0111 19 402 45.04

1.9774 12 204 45.85

X . y DUD 46.52

1.7911 <1 403 50.94

1.7098 5 420 53,55

1.6822 10 224 54,50

1.6391 1 205 56,06

i . Dy J D 57 . 81

1.5764 7 404 58, 50

1.5078 8 600 61.44

1,4771 <1 423 62.86

1.4660 1 431,006 63 .39

L , ^ £. Do 1

j_ 602 65 . 37

1.3944 3 206 67.06

1.3890 1 405 67 .36

1.3628 <1 611 68.83

1.3496 6 424 69. 60

X , O U D / 3J 440 72.30

1.2782 5 531, 226 74.11

1.2547 1 620 75.74

1.2516 2 442 75.96

1.2435 4 604 76.55

T O O Q Q 1X 77.55

1.2262 1 425 77 , 83

1.2063 6 622 79.36

1. 1536 <1 623 83.78

1. 1308 <1 800, 631 85.87

1. 1228 2 444 86.63

1. 1129 2 426 87,59

1,0952 2 802 89,38

1.0898 2 624. 89,95

1.0683 2 208 92,27

1,0549 <1 803 93 , 80

I/I

11
Barium Aluminum Oxide, BaAl204 (hexagonal)--continued

Internal standard Ag, a = 4.08625 A

CuKaj ^ = 1.5405 A; temp. 25 °C

o d (A ) 1T

1,0511 1 811, 606 94.24

1.0379 1 640 95,83

1.0216 <1 625 97, 87

1,0132 <1 228 98,97

X1 . mV-' X nnW w z

1.0056 <1 804 99, 98

0. 9885 1 408 102,38

. 9872 2 820 102, 57

. 9783 <1 643 103 , 87

. 97 50 1XU*i C\A . JT 7/

.9632 1 822 106.20

,9532 1 626 107 . 82

,9431 <1 911 109.52

,9386 1 644 110.30

0£. 49 R 119 X X z . R1ox

,9048 <1 10,0,0 116.71

, 9005 1 824 117. 59

,8953 <1 806 118,71

, 8938 <1 64 5 119.04

, OO O

f^nR ou o ion o

,8861 1 10,0,2 120,74

,87 94 <1 0 , 0 , 10 122.29

.8728 <1 905 123 . 89

.8706 1 660 124.43

^ X Z , , xw xz O . J J

.8547 <1 10. 1. 1 128. 63

.8470 1 646 130.85

. 8410 <1 448 132. 66

.8391 2 842 133.25

. OO D / X 1XVJn . nL/ . A**

.8334 1 2.2,10 135.11

,8268 2 628 137,36

, 8188 2 826 140 , 34

,8125 <1 10.2.0 142,90

,8094 1 664 144. 19

,7989 2 10.2.2 149.21

.7968 2 844 150.35

.7882 <1 808 155. 50

References

Arlett, R. H., White, J. G., and Robbins, M. (1967). Single

crystals of BaAl204, Acta Cryst 22, 315. Do Dinh, C. and Bertaut, E.-F. (1965). Parametres de BaAl2 04 et etudes des solutions solides BaFexAl2

-x04 et BaGaxAl2-x04, Bull. Soc. Franc. Mineral.

Crist. 88 413-6. Glasser, F. P. and Dent Glasser.L. S. (1963). Crystal chemistry of some AB2O4 compounds, J, Am. Chem. Soc. 46 377-380.

Hoppe, R. and Schepers, B. (1960). Crystal structure of BaGa204 and BaAl204, Naturwissenschaften 47, 376. Wallmark, S. and Westgren, A. (1937). X-ray analysis of barium aluminates, Arkiv Kemi, Mineral. Geol. B12, No. 35.

12
Bismuth Sulfide (bismuthinite), 31283 (orthorhombic) (revised)

Powder Diffraction File cards. No. 6-0333,

National Bureau of Standards (1955). The following

data is essentially the same as that reported on

the above card: however, A. Glatz, Carrier Research and Development Co. suggested that if the

pattern were remeasured, using his sample, it would be interesting to see the effect of back reflection lines on the lattice constants. The sharper

pattern produced by this new sample also added

weak front reflection lines.

Additional published patterns. None.

NBS sample. The high purity sample of bismuth sulfide, furnished by A. C. Glatz, was prepared by the method described in a paper by Glatz

and Meikleham (1963). In addition, he also ground,

sieved to -50 mesh, and annealed this sample at 400 °C for one month.

The sample was a dark gray opaque powder.

I/I corundum = 2.1.

Structural data. Hofmann (1933) determined that

bismuth sulfide has the antimony sulfide structure,

the space group Djh-Pbnm (No. 62) and 4(61283)

per unit cell.

Lattice constants

NBS (1955),

sample at 26"C

NBS, sample at

25"C

a(A) b(A) c(A)

11.150

11.149

11.300

11.304

3.981

3 .981

The density of bismuth sulfide calculated from

NBS (1965) lattice constants is 6.806 g/cm^ at 25°C.

References

Glatz, A. and Meikleham, V. (1963). The preparation and

electrical properties of bismuth trisulfide, J, Electrochem. Soc. 110, 1231-1234.

Hofmann, W. (1933). Die Struktur der Minerale der Antimonitgruppe, Z. Krist. 86, 225-245.

Swanson, H, E,, Fuyat, R. K., and Ugrinic, G. M. (1955).

Standard X-ray Diffraction Powder Patterns, Natl. Bur. Standards (U.S.), Circ. 539, IV, 23-25.

Internal standard W, a = 3.16504 A

CuKa^ k = 1.5405 A; temp. 25 °C

0 a (A) TI UrI 26(°)

7 . 936 1 110 11.14

5 . 654 22 020 15.66

5 . 566 200 15.91

5.040 22 120 17.58

3.967 42 220 22.39

3 . 748 17 101 23.72

3 . 569 100 130 24.93

3 . 530 58 310 25.21

3.253 16 021 27.39

3.118 80 230,211 28.60

2 . 824 14 040 31.65

2 . 812 51 221 31.80

2 . 717 28 301 32.94

2.709 4 410 33.04

2.641 18 311 33.91

2.521 40 240 35. 58

2 .499 12 420 35.91

2 .456 10 231 36.55

2.305 20 041 39.04

2.258 32 141 39.90

2 . 241 12 430 40.20

2 . 188 5 510 41. 22

2 . 130 7 241 42.39

2.118 11 421 42.65

2.096 9 250 43.13

2 . 075 10 520 43 . 59

1 . 990 18 002 45 . 54

1 . 985 16 440 45 . 66

1.953 39 431 46.45

1.945 31 501 46.66

1 . 937 16 LOL 1 C 1 ftO • 0 / 1 . 932 10 ODU An4t / • nnuu

i . y iy 18 0 ou

1. 884 23 060 48.26

1.857 13 600, 160 49.00

1.853 16 251 49 1 ] 1.834 10 610

1. 785 4 260 J J- m J. 0

1.780 8 222 51.28

1. 765 5 620 51.74

1.750 8

1. 738 33 R9 fin 1. 734 14 0 J- ^ R 9 lA

1.703 11 061 53.77

1.683 4 161 54.46

1.680 4 360 54.58

1.665 2 611 55.12

1.606 4 451 57.30

1.603 2 541 57.45

1.587 2 550 58.07

13
Bismuth Sulfide (bismuthinite), 61283 (orthorhombic) (revised)— continued

0 Internal standard W, a = 3.16504 A

CuK

0 ai -V = 1.5405 A; temp. 25 °C

0 d(A) r

i fin I 2e(°)

1.562 11 242 59.09

1 c: 0 7 640 C Q AQ Dy • *ty 7 361 Dy . oy

1 t; 0 T 4 631

A. • D J Zo 7 720

1.4828 11 171 62.59

X . ft buy 17 370, 152 Oii . 00

1 >i >i R

6 271 D4 . 4Z

X

44jX 6 252 04 . DZ

1 /I R Q 8 522 04 • 00

1.4306 12 721 65.15

X • 4XZ

1 080 00 . uo

1 yl n 0 4 442 Do . ftO X • ftUXo 4 180 OD . 00

X . 0 y / ft 6 470 DD • yu

1.3862 4 352 67.51

X.J 0 J u 4 810 0 / . X • 0 OXft 8 532 D / . / 0

5 062

2 162 U 7 « -1- -L1.3534 11 820, 561 69. 38

1 Q /I Q Q X . j4y

5 651

6 660 / J.

X . J X o4 4 471 71

X.J X4d 4 542 7 1 74

1.3101 10 741 72.02

X . 3062 5 811

1 1 0 c X . 2950 6 281

X . 2o2o 4 213 / 0 • OX

T 0 C 0 "7 X . 2 bo

4 223 7/ DR . Af^ fto

1.2554 3 661 75. 69

1 0 >i 0 o X . 24o2 10 190 / 0 . Z X

1 0 /I 0 c X . 242b 2 571 7ft ft9 X . 23 XU 1 910 77 47

1 o 0 c n X . 22bU 3 290 77 Q9

1.2145 4 722 IB. 12

X . 2UX4 5 481, 043 7Q 7^

X . Xyob 3 143 , 580 Rnou . 0

"5 AD

X . xyuy 3 191 pn AO

X . X80O 7 372 oUon . 00

1.1861 3 850 .333 80.99

X . Xo3(J 4 961 R1OX . Z9 DR

X . X / 66 2 930,911 fil oX . 7R/ 0

X . Xbbb 4 671 R9OZ . 7T/ J

X . X44y 3 490 R40** .DO"^fi

1.1432 8 472,581 84.72

1.1406 6 433, 802 84.95

1.1380 2 153 85.19

1.1246 2 680 86.46

1.1093 1 lO-l-O 87.95

0 Internal standard W, a = 3.16504 A

CuK

0 ai \ = 1.5405 A; temp. 25

0 d(A) T

1 26(°)

1. 1079 •*A 2 * 10 •

88.09

1 . 1006 38? 4Q1 88.83

1 . 0940 1 590 1 0 • 9 •

89. 50

1.0875 5 O-lO-l 90. 19

1 r» 0 ^ 0 X . uo2

2 681 90.74

1.0794 2 163 91.06

X . UD /U 6 192, 780 QT CC,

X . UD4o 2 10- 2-1 Q '3 Qy J • ox

1 A/1 7 X . U4 / b 2 912,4'10-0 OkA c^n y^i • D / X . U4 3 6 2 292„3-10-l Q C '\ A y o . X4

1.0410 1 363 95.45

1.0374 2 10 •4*0 y 5 • by

X .JdU 2 960 QC 1 0 yb • Xo

X . U J24 4 10-3-1 yo . DU

1 n 0 o c X . U2 J b 1 582 Q7 Ck'\ y / . dx

1.0213 5 781, 392 97.91

X . uxy

5 871, 703 QQ 1

"3 y 0 . X J X . UX J X 3 932 QQyo • QQyo

X . UXUb 4 463,2,11.0 QQyy "X 1

. J X

X . UUo2 5 273 QQ C "3 yy . D

1.0040 2 IO'4-I 100.20

X . UUXb 3 961 XUU . Do

0 . yy53 2 004 XUX • ftX

. yyz6 5 492 XUX T m . 7 Q/

y

. yyxu 2 1-11.

xuz . Uz

.9862 2 790 102.71

. 9830 2 970 XU J . Xo

. 9823 1 0- 10* 2, 11- 0-1 XU J . 2o

. 9794 3 2-11-1 XU 0 . /X

. 9767 3 124,862 XU4 . xz

.9761 3 214 104. 21

. y695 2 10 • 5- 1, 10- 1 •

1 n=; 91

. 9681 3 11- 2- 1, 2- 10-

X1 rmU J .. 4J?

. 9612 6 3- 11-1 1 Ofi R

xuo* jx

.9590 4 743, 592 X1 nfi u 0 . fi7 0 /

. 9542 3 971; 11-4-0 107 . 65

. y4ou 1 234 108, 68

. y42U 1 10- 3 -2,0 •12-0 109. 70

0 0 0 . yjob 5 1- 12-0, 6- 10-1 110. 31

. yj by 3 663,4- 11-

110 . 60

.9336 1 782 111.19

. y J X'i 3 573 980.4- XXX 111 R • DO

Q 9 Q . yzDo 2 19'1'0 244 xxz 110 ftn

. bu

. y2bu 2 ll-5'O XX2 . /

. yxo4 1 962 XX4 . Uu

. 9168 4 12- 2-0 114.31

.9011 4 11. 5-1, 2-11-2 117.48

.8995 5 5 -10 -2 117.81

. 8982 5 7 '10-1 118.09

.8933 2 10.5-2,12'2-1 119.14

14
Bismuth Sulfide (bismuthinite), 31283 (orthorhombic) (revised)— continued

Internal standard W, a = 3.16504 A

CuKai \ = 1.5405 A; temp. 25

0 a (A) / hkl 26(°)

0 . 8865 1 3'll-2 120. 37

. 8845 2 354, 853 TOT in

. 8826 3 12 4-

1 0 1 c: c; X , O D .8800 1 064, 12-3-1 TOO T XZ-i . Xo

.8774 1 8-10-0, 604,+ TOO "70 X^ Z . /

. 8710 1 11- 6-

124,33

. 8678 2 4-11-2, 520 X Z D • ± ^

. 8670 4 624,493 Xz D . J

.8605 3 11.4.2,0.10.3 ± Z / • .8583 3 11. 7-0 ±Z / • D't

. 8575 3 1 . 10 . 3 , 8. 10 .

127.87

, 8515 1 10" 1 . 3, 0 • 12 • 2 Xz y . oz

. 8490 1 1-12-2 XOU • Z^

.8480 3 13-2.0 X . DO

.8471 4 1-13-1 X J u , OU

. 8420 1 12-0-2 132.34

. 8417 1 714, 2 . 12 - 2 X J Z • 441:

. 8402 1 12-5-1 X J z • y z

. 8398 2 6-12.0,12.1.2 X J J . u z .8384 3 13.0.1 Too ^ tr

.8364 2 7-10-2,13-3-0 134.11

.83 50 3 9-10-0

.8337 2 10-9-0

.8327 2 12-2-2,10-3-3 J. ^ J • ^ .J .8303 5 4-13-0 136 . 16

.8294 5 3 - 12 - 2, 13 - 2 -

136.46

. 8281 2 3-13-1 IOC Q 0

. 8273 4 8-11-0 X1 "3 "7 T J / . Z X .8260 3 374,873 1 "3 7 C^A i-O 1 . D'i 08222 2 4.10-3 1 J y . u J

. 8200 2 6-11-2 140.01

. 8162 4 963 ,10-9-1 14± . J D

. 8127 2 4-13-1

.8105 3 7-12-0,474 14 J . / /. .8070 3 0-14-0,12-4-2 1 /I c on X4r> . JU

. 8054 3 11 - 0 - 3 . 12 - 7 - 0 146.01

. 8035 2 11- 1-3. 8- 10- 2.+ 146 . y4

. 7964 2 14-0.0 iOU . DD

.7955 3 664,5«12.2 XD X . U / .7939 5 105, 10-10.0 TCI 0*7 xdx . y

.7893 2 973,12.7.1 154.74

.7890 1 1.14.1,12.5.2 154.98

.7884 2 14.2-0,2-13-2,+ 155.37

. 7864 3 125, 215 156.70

.7836 3 2-14-1 158,82

.7802 2 8-12.0.13.2.2 161.67

15
Cadmium Chromite, CdCrjO^ (cubic)

Powder Diffraction File cards. No. 2-1000, Holgersson (1930).

Additional published patterns. None.

NBS sample. The sample of cadmium chromite

was prepared at NBS from cadmium oxide and

chromium trioxide, dried before weighing, and

heated in vacuum at 300°C for 17 hrs. The substance was ground, compressed into a pellet, and

heated at 1050°C for 1 and 1/2 hrs.

Spectrographic analysis showed the following

major impurities: 0.01 to 0.1 percent each of

calcium and magnesium, and 0.001 to 0.01 percent

each of aluminum, barium, copper, iron, manganese, nickel, antimony, and silicon.

The sample was gray olive green. The indices

of refraction could not be determined because the

sample was too fine-grained.

Structural data. Holgersson (1930) determined

that cadmium chromite has the spinel structure with

the space group Oh-Fd3m (No. 227)and 8(CdCr20J

per unit cell.

Lattice constants

a(A)

Holgersson (1930) 8.61

Krause and Thiel (1934) 8.59

Verwey and Heilmann (1947) 8,584

NBS, sample at 25°C 8.597

The density of cadmium chromite calculated from

the NBS lattice constants is 5.862 g/cm^ at 25 °C.

Internal standard W, a = 3.16504 A

CuK

O ai \ = 1.5405 A; temp. 25 °C

d (A) I hkl 26(°)

4.959 3 111

3.036 74 220 29.39

2.589 100 311 34.61

2.480 4 222 36.19

2.146 2 400 42.06

1.972 6 331 45.98

1.755 22 422 52.08

1. 654 32 511 55. 50

1.519 30 440 60.93

1.3592 7 520 69.04

1.3107 9 533 71.98

1. 2956 2 622 72.95

1. 1486 10 642 84. 23

1. 1188 12 731 87.02

1.0745 3 800 91.59

1.0131 4 822 98.98

0 . 9926 8 751 101.79

.9164 3 664 114.38

.9012 6 931 117.44

.8775 8 844 122.75

.8311 8 951 135.88

References

Holgersson, S. (1930). Rbntgenographische Untersuchungen

einiger Synthetisch Dargestellten Chromspinelle, Z. anorg. u. allgem. Chem. 192, 123-128. Krause, O. and Thiel, W. (1934). Uber Keramische Farbkorper

I, Bar. deut. keram. Ges. 15, 101-110. Verwey, E. J. W, and Heilmann, E. L. (1947). Physical properties and cation arrangement of oxides with spinel

structures, J. Chem. Phys. 15, 174-180.

I

I/I
Calcium Magnesium Silicate (diopside), CaMg(Si03)2 (monoclinic)

Powder Diffraction File cards. No. 3-0860 (synthetic), Clark (1946) and No. 11-654 (natural),

deWolff (1961).

Additional published patterns. Kuno and Hess

(1953).

NBS sample. The sample of diopside was obtained from Tem-pres Research Inc., State Col-,

lege. Pa.

Spectrographic analysis showed the following

major impurities: 0.1 to 1.0 percent each of aluminum, nickel, and strontium; and 0.01 to 0.1 percent each of iron, sodium, and titanium.

The sample was colorless and optically positive

with indices of refraction N^, = 1.674, N„ = 1.680,

and N^ = 1.700. 2V is medium. ^

corundum ~ i«0»

Structural data. Wyckoff and Merwin (1925)

determined that diopside has the space group

C|,-C2/c (No. 15) and 4 [CaMg(Si03) per unit

cell.

References

Clark, C.B. (1946). X-ray diffraction data for compounds in the system CaO-MgO-SiO,, J. Am. Ceram. Soc. 29, 25-30. Futergendler, S.I. (1958). X-ray study of solid inclusions in diamonds, Soviet Phys.-Cryst. 3, 494. Kuno, H. and Hess, H.H. (1953). Unit cell dimensions of clinoenstatite and pigeonite in relation to other common clino- pyroxenes. Am. J. Sci. 251, 741-752.

Wyckoff, R.W.G. and Merwin, H.E. (1925). The space group of diopside [CaMg(Si03)2j, Am. J. Sci. 9, 379-394.

o Internal standard W, a = 3.16504 A

CuK cii \ = 1.5405 A; temp. 25 C

o d (A) I hkl

4.462 5 020 19. 8ft 4 .407 1 111 Z U . i J 3 . 660 3 111 0,'! "3 n

3 . 343 11 021 0 • D4

231 28 220

2992 100 221 29.84

2.951 32 310 30.26

2 . 894 42 311 OA Q "7

9 838 3 130 J X • D U

2 . 566 25 131

2 . 524

t 64

002 35.53

2.518 112, 221 J _) . D J 2 . 389 3 131 1 "7 C^'\ J / . Dl

2.301 16 311

^ a ^ J~ .J 13 112 4U/in "7 n . /U

2

198 13 222„ 022 41.02

^ * ± ^ \j 12 330 4 X . 0 / 9 1 ^ ^ 18 331 42 . 34

^9 • X1 nft VJ o 10 421 4 2 • 85

9 nv T 1 420 /I 0 c -7 4 j . b /

2 . 042 19 041 44.33

2 . 014 14 240,402 A A Q "7

^9 e onfi W U 10 202 /I r: T c: 4 J « i D 1 . 968 8 132 4 b « U y 1 . 860 3 331 AO. Q

1 . 835 \ « 510,422 49. 64

1 . 831 ) 222 ,10 "7 4 y . / 0

1 . 813 3 132 duc; A 0 Q . z

y

1 . 774 2 421 r> X . 4d

1 . 754 13 150 D ^ . X U

1. 720 2 512 53.22

1 . 684 2 151 34 .43

X . U / J 6 042, 242 c /I Q D4 . O J

i. . OOO 6 313 r" c 0—7 tJ5 . 3 / I33

531„ 223 56 . 61

1 . 617 ] 440 56.90

J- • D o D 1 530 5o . J. I ± • DDZ 3 600 59.08

1 =) SO 5 350 Dy .ay

1 "529 3 602 ou . 4y

1. 523 6 402 60.75

1 S096 2 532 D-L . J D

1 S034 11 133 DX . D4

1 4918 2 242 O 1

"7 DZ . X / 5 060 bz . J D 1.4750 1 620 62.96

1.4609 2 441 63.64

1.4469 3 622 64.33

1.4267 8 061 65.35

1.4225 17 531 65.57

I/I

17
Calcium Magnesium Silicate (diopside), CaMg(Si03)2 (monoclinic)— continued

o Internal standard W, a = 3.16504 A

CuK

o aj \ = 1.5405 A; temp. 25 °C

d (A) 7 hkl 26(°)

1.4086 ]io

_352 66.30

1.4072 ) 152 66.37

1.3895 3 223 67.33

1.3755 2 711 68.11

1.3439 1 043 69.94

1.3305 7 _712 70.75

1.3269 7 621, 512 70.97

1.3168 3 533 71.60

1.2824 7 262,062 73.83

1.2624 5 461 004 75.20

1.2480 4 352 76.22

1.2362 2 171 77.08

1.2222 1 532 78.13

1.2174 2 424 78.50

1.2147 2 171,024 78. 71

Lattice constants

a(A) b(A) C(A)

Wyckoff and Merwin (192 5) 9.73 8.91 5.25 105.83°

Kano and Hess (1953) 9.731 8.930 5.249 105.43°

Futergendler (1958) 9.70 8.91 5.22 105°

deWolff (1961) 9.761 8,926 5.258 105.79°

NBS, sample at 25 °C 9.748 8.926 5.250 105.86°

The density of diopside calculated from the NBS

lattice constants is 3.273 g/cm^ at 25° C.

18
Cesium Cadmium Trichloride, CsCdCl (hexagonal)

Powder Diffraction File cards. None.

Additional published patterns. None.

NBS sample. The sample of cesium cadmium

trichloride was made at NBS by fusing stoichiometric amounts of cesium chloride and cadmium

chloride.

Spectrographic analysis showed the following

major impurities: 0.1 to 1.0 percent sodium, and

0.01 to 0.1 percent each of barium, calcium, potassium, rubidium, and strontium.

The sample was colorless. It was optically

positive with indices of refraction N„= 1,737 and

Ne = 1.750.

I/I corundum = 2.6.

Structural data. Siegel and Gebert (1964) determined that cesium cadmium trichloride has

the hexagonal barium titanate structure, the space

group D -P63/mmc (No. 194) and 6(CsCdGl ) per

unit cell, Ferrari and Baroni (1927) reported

that there also exists a pseudocubic perovskite

form of cesium cadmium trichloride.

Lattice constants

a(A) C(A)

Siegel and Gebert (1964)

NBS, sample at 25°C

7.418

7.416

18.39

18.440

The density of cesium cadmium trichloride calculated from the NBS lattice constants is 3.989

g/cm' at 25 °C.

References

Ferrari, A. and Baroni, A. (1927). On the crystalline struc- ture of the double chloride of cadmium and cesium

(CsCdClj), Atti accad. nazl. Lincei Rend. Classe sci.

fis. mat. e nat. 6, 418.

Siegel, S. and Gebert, E. (1964). The structure of hexagonal

CsCdClj and tetragonal GSzCdCl^, Acta Cryst. 17, 790.

o Internal standard Ag, a = 4.08625 A

CuKa J

>^ = 1.5405 A; temp. 25 °C

d(A) / hkl 20n

6.070 18 101 14.58

5. 266 4 102 16.82

4.440 20 103 19.98

3.743 92 104 23 . 75

3o708 100 110 23 . 98

3.198 19 105 27 . 87

3.072 9 006 29.04

3 .032 11 202 29.43

2.846 35 203 31.40

2. 63 5 62 204 33.99

2 .438 12 107 36. 84

2.422 18 205 37.08

2. 259 4 213 39.88

2 . 170 6 108 41.58

2.147 30 214 42.04

2.142 33 300 42 . 16

2.037 10 207 44.43

2.027 12 215 44. 66

1.958 5 118 46.33

1.952 4 109 46.48

1.873 14 208 48. 57

1.853 24 220 49. 11

1. 785 8 217 51 .12

1. 774 3 311 51.48

1. 727 8 209 52.98

1.710 2 313 53 . 53

1. 67 2 6 218 54. 88

lo6614 8 314, 307 55. 24

1. 6218 2 1-0-11 56. 71

1.6034 4 315 57.42

X

1

. 3

Q QHCJU on oJ

o o Z ZD CO no J o . U J

1 C £L 1^ o X . O O 3 Z

A z ±y CO QkC 30 . y b

A

ft 4U3 C Q An

I IT o T n A O.A.I O U U Xz C^C\ bU T C . ±3

1. 5158 1 404 61 . 08

1.4752 5 317 62.95

1.4721 6 405 63.10

1.4324 2 323 65.06

1.4200 5 1-11-2 65. 70

1.4095 3 318 66. 25

19
Cesium Cadmium Trichloride, CsCdCl (hexagonal)— continued

Internal standard Ag, a = 4.08625 A

CuKa, ^= 1.5405 A; temp. 25

d (A) / hkl 2e(°)

1.4015 9 410 66 . 68

1.3794 3 2'1-11

1.3712 3 407 fiR \j 0 . J S

T 9 R J J 1.3446 3 319 69.90

1.3410 2 414

lo3177 3 408 7

1. 2860 1 327

1 263 6 75.11

1. 2482 6 3*0-12 76. 21

1.2412 3 328 75.71

1. 2373 4 504,417 7 7.00

1. 2205 2 3-1-11 78.26

1.1961 3 329 80 . 18

1.1906 3 423 80 . 62

1.1830 6 2-2-12 81.25

1.1737 5 424 82.03

1.1528 4 425 83 . 85

20
Cesium Calcium Trichloride, CsCaClg (cubic)

Powder Diffraction File cards. None.

Additional published patterns. None.

NBS sample. The sample of cesium calcium

trichloride was prepared by fusing cesium chloride

and anhydrous calcium chloride at approximately

900°C.

Spectrographic analysis showed the following

major impurities: 0.1 to 1.0 percent strontium;

and 0.01 to 0.1 percent each of potassium, sodium,

and rubidium.

I/I, ndum 3.8.

The sample was colorless,

fraction was 1.599.

The index of reStructural data. No structural information was

found in the literature on cesium calcium trichloride; however it appears to be cubic and similar

to other perovskites, with the space group O ^ -Pm3m

(No. 221) and 1 (CsCaCla) per unit cell.

This material gave x-ray patterns which showed

no splitting and can be considered fully cubic at 25°C.

Lattice constants

NBS, sample at 25°C

a(A)

5.396

The density of cesium calcium trichloride calculated from the NBS lattice constant is 2.952 g/cm^

at 25°C.

o Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 °C

d(A) / hkl 2e(°)

5.394 15 100 16.42

3 .819 100 110 23.27

3 . 115 71 111 28.63

2.698 78 200 33 . 17

2 .413 7 210 37 . 23

2,203 33 211 40.92

1. 908 30 220 47 . 62

1.798 2 300 50.72

1 . 706 11 3 10 53.67

1. 627 12 311 56. 53

1. 538 8 222 59. 27

1.497 2 320 61. 95

1.4421 9 321 64. 56

1 . 3486 2 400 69. 66

1.3085 2 410 72 . 72

1.2717 3 411 74. 55

1.2380 2 331 76. 95

1.2063 6 420 79.36

1. 1505 2 '?'?2 84.05

1. 1016 4 422 88.73

1.0794 ^ 500 91.06

1.0583 3 510 93 .41

1.0387 2 511 95.73

0.9852 <1 521 102.85

.9538 <1 440 107.72

.9255 <1 530 112. 66

.9119 1 531 115.27

.8993 <1 600 117.85

.8755 <1 611 123 . 23

.8532 <1 620 129.05

.8327 <1 541 135.35

.8227 <1 533 138.86

.8136 <1 622 142.43

\ 21
Cesium Copper (n) Trichloride, CsCuClg (hexagonal)

Powder diffraction cards. None.

Additional published patterns. None.

NBS sample. The sample of cesium copper

trichloride was crystallized from an aqueous

solution of cesium chloride and cupric chloride.

The crystals formed as dark red hexagonal prisms

terminated by bipyramids.

Spectrographic analysis showed the major impurities to be 0.01 to 0.1 percent of barium and

0.001 to 0.01 percent each of aluminum, calcium,

chromium, iron, potassium, magnesium, manganese, sodium, nickel, rubidium, silicon and

strontium.

The color of the sample was very dark red

when unground and dark orange yellow when

ground. In the petrographic microscope the sample was strongly dichroic, being brownish red for

vibrations along c and yellowish for vibrations

perpendicular to c. The crystals were uniaxial

positive with No =1.75 and Ne - 1.885.

Vlcorundum = 3.0.

Structure data. Wells (1947) determined that

cesium copper trichloride is hexagonal with the

space group D^-P6j22 (No. 178) and 6(CsCuCl3)

per unit cell.

Lattice constants

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 °C

a(A) c(A)

Klug and Sears (1946) 7.189 18.06

Wells (1947) 7.20 18.00

NBS, sample at 25 °C 7.2165 18.180

±0.0004 ± 0.002

The density of cesium copper trichloride calculated from the NBS lattice constants is 3.679

g/cm' at 25°C.

References

Klug, H.P. and Sears, G.W. (1946). A crystal-chemical study

of cesium trichlorocuprate, J. Am. Chem. Soc. 68, 1133. Wells, A.F. (1947). The crystal structure of CsCuClj and the crystal chemistry of complex halides ABX3, J. Chem.

Soc. (London) 1947, 1662.

d (A) / hkl

6. 249 15 100 14.16

5.909 7 101 14.98

4.3 54 75 103 20.38

3.676 9 104 24.19

3 . 608 88 110 24 . 65

3.541 12 111 25.13

3.146 7 105 28.34

3.126 10 200 28.53

3.078 8 201 28.98

3 . 032 25 006 29.43

2.956 17 202 30.21

2.777 100 203 32.21

2.726 29 106 32.82

2.576 8 204 34.80

2 .359 9 205 37 . 95

2.319 5 116 38.79

2. 286 4 212 39.38

2. 200 17 213 40.98

2.175 25 206 41.49

2.095 2 214 43 . 14

2.082 10 300 43.42

2.070 7 301 43.69

2.031 3 302 44.58

1.998 7 207 45.36

1 . 981 6 215 45.76

1.922 6 109 47.24

1.863 11 216 48.83

1.805 16 220 50.52

1.795 15 221 50.81

1.770 3 222 51 . 59

1.747 4 217 52.31

1.730 2 223 52.89

1.702 11 312 53.80

1.697 11 209 53.99

1. 666 7 313 55 . 08

1.6163 2 225 56.92

1.5642 5 315 59.00

1.5501 6 226 59.59

1.5396 6 402 60.04

1.5356 5 308 60.21

1.5145 3 0- 0- 12 61.14

1.5127 7 403 61.22

1.5040 6 316 61.61

1.4777 6 404 62.83

1.4421 2 317 64.57

22
Cesium Copper (n) Trichloride, CsCuCl, (hexagonal)— continued

0 Internal standard W, a = 3.16504 A

CuKai X = 1.5405 A; temp. 25 °C

d(A) I

1.4298 3 321 65. 19

J- . ^XOJ 2 322 65.89

J- . O ^DD 5 1-1-12 66.94

1.3882 5 406 67.40

1 . 3577 4 324 68. 55

1.3637 4 410 68. 78

1.3599 5 411 69.00

1.3150 5 319 71.71

23
Cesium Lead(n) Trichloride, CsPbCls (tetragonal)

Powder diffraction cards. None.

Additional published patterns. M011er (1959).

NBS sample. The sample of cesium lead trichloride was prepared at NBS by fusion of cesium

chloride and lead chloride at about 500° C.

Spectrographic analysis showed the major impurities to be 0.01 to 0,1 percent of potassium

and 0.001 to 0.01 percent each of aluminum, barium, calcium, lithium, manganese, sodium, rubidium, silicon and strontium.

The color of the sample was yellow white. Cesium lead trichloride has a very low double refraction. The indices were both near 1.930.

Structural data. M011er (1959) determined that

cesium lead trichloride at room temperature has

a distorted perovskite structure, with the tetragonal space group C4v-P4mm (No. 99) and 1 (CsPbCla) per unit cell. It was also found to go

through a readily reversible inversion at 46.9°C,

above which it had a cubic pervoskite structure

with a = 5.605A,

Lattice constants

a (A) C(A)

M(Z^ller (1959) 5.590 5.630

NBS, sample at 25°C 5.584 5.623

±0.001 ±0.001

The density of cesium lead trichloride calculated from the NBS lattice constants is 4.224

g/cm^ at 25° C.

Reference

M^ler, C. K. (1959). The structure of perovsklte-like cesium

plumbo-trihalides, Kgl. Danske Videnskab. Selskab, Mat.

fys. Medd. 32 No. 2.

Internal standard W, a = 3.16504 A

CuKaj \ = 1.5405 A; temp. 25 °C

d (A) / hkl 20C)

5 . 60 14 100, 001 15.79

3 . 950 100 101 22.43

2 . 809 14 002 31.82

2.794 23 200 32.00

2.509 6 102 35.75

2 . 502 7 201 35. 86

2 .288 23 112 39„34

2 . 283 29 211 39.43

lo981 10 202 45.76

1.976 9 220 45.89

1 . 871 7 003 48. 62

1 • 867 9 212 48. 73

1 . 862 7 221, 300 48. 86

1.777 5 103 51.38

1.767 7 301,310 51.70

1 . 685 1 311 54.39

1. 616 3 222 56. 95

1 . 557 <1 203 59.32

1.551 <1 302 59.54

1.548 <1 320 59.67

1 . 4988 5 213 61.85

1 . 4949 7 312 62.03

1 .4934 5 321 62 . 10

1.4056 <1 004 66.46

1.3965 <1 400 66.95

1.3563 1 322 69. 21

1. 3541 1 401,410 69.34

1.3245 1 114 71.12

1. . ^ ^ X £. 1 303 71.32

1.3168 2 411 71.60

1.2556 <1 204 75.68

1.2501 <1 402 76.07

1.2253 <1 214 77.90

1.2200 <1 412 78.30
Chromium Fluoride Trihydrate, CrF3'3H20 (monoclinic)

Powder Diffraction File cards. No, 1-0300, Hanawalt, Rinn, and Frevel (1938).

Additional published patterns. Thomas (1956).

NBS sample. The sample of chromium fluoride

trihydrate was obtained from Fisher Scientific Co.,

Washington, D.C. The sample was recrystallized

from a water solution.

Spectrographic analysis showed the following

major impurities: 0.01 to 0.1 percent each of calcium, iron, magnesium, and silicon; and 0.001 to 0.01 percent each of aluminum, manganese, nickel,

and lead.

The color of the sample was deep green. Optically it appeared uniaxially positive with indices

of refraction Na = N^ = 1.448 and Ny = 1,476. 2V

could not be measured.

- 9 corundum ~ •^•>-'.

Structural data. Through the help of A, Perloff

at this laboratory, single crystal work indicates

that the compound is monoclinic with the space

group either Ci-C2 (No. 5) or Cih-C2/m (No. 12).

Visser (1964) was able to give a rhombohedral

configuration for this compound. Our data was indexed on both the monoclinic cell and the pseudohexagonal cell.

The density of chromium fluoride trihydrate calculated from the NBS lattice constants is 2,236

g/cm^ at 25°C using 3(CrF3-3H2 0) per unit hexagonal cell or 2(CrF3-3H2 0) per unit monoclinic

cell.

References

Hanawalt, J, D., Rinn, H. W,, and Frevel, L. K. (1938).

Chemical analysis by x-ray diffraction, Ind. Eng. Chem.

Anal. Ed. 10, 457-513.

Thomas, W. G, (1956). The structure of binary crystalline

fluorides. Dissertation Abstr. 16, 467. Visser, J. W. (1964). (private communication).

Internal standard W, a = 3.16504 A

CuKai A. = 1.5405 A; temp. 25

d(A) / hkl

mono

hex

29(°)

4.704

4.101

3.091

2.581

2.350

100

60

4

53

2

020, 111

111,001

021,201

221,111

040,220,-)-

110

101

021

211

220

18.85

21.65

28.86

34.27

38.27

2.278

2.050

1.879

1.871

1.777

2

8

25

22

9

Il2,202

222,002

312,022

241, 201

150,240

012

202

122

401

410

39.52

44.15

48.40

48.61

51.38

1.738

1.636

1.567

1.545

1.541

8

14

4

4

2

331,221

332,112

060, 330

042

151,401

321

312

330

042

051

52.60

56.18

58.87

59.80

59.98

1.4988

1.4675

1.4638

1.3972

1.3663

4

5

4

2

3

313, 113,+

152, 132,4-

061, 241

351,311

403

113

232

241

511

303

61.85

63.32

63.50

66.91

68,.-€3

1.3568

1.3422

1.3122

1.3035

1.2907

2

1

2

4

2

260,400

202

423

350.420

J42, 222

600

502

223

520

422

69.18

70.04

71.89

72.44

73. 28

1.2450

1.2013

1.1811

1.1738

1.1655

22

3

22

152

261, 511

443, 113, -^ 314,204

532

152

161

413

104

342

76.44

79.76

81.41

82.02

82.73

1.13'89

L.'1297

lill36

2

2

2

181,404

371,351,+

263, 133,+

024

351

333

85.11

85.97

87.53

I/I

Lattice constants

Thomas* (hexj (1956)

NBS, sample at 25 °C (hex.)

NBS, sample at 25 °C (mono.)

a(A) b(A) C(A) fi(°)

5.41

9.402

6.281 9.404

8.31

4.745

4.745 120.24"

proposed cell does not index pattern.

25
Cobalt Antimony Oxide, CoSb20g (tetragonal)

Powder Diffraction File cards. None.

Additional published patterns. None.

NBS sample. The sample of cobalt antimony

oxide was prepared at NBS by heating a mixture

of cobalt oxalate and antimony pentoxide for 1/2

hour at 1000°C on a gold boat.

Spectrographic analysis showed the following major impurities: 0.01 to 0.1 percent each of chromium, iron, nickel, and silicon; and 0.001 to 0.01

percent each of aluminum, barium, calcium, copper,

manganese, molybdenum, vanadium, and zinc.

The color of the sample was light gray brown.

The indices of refraction could not be determined

because the sample was too fine-grained.

I/I — 2b 5o

Structtiral data. Bystrom, Hok, and Mason (1941)

determined that cobalt antimony oxide is isomorphous with zinc antimony oxide, with the space

group DJ^-P42/mnm (No. 136) and 2 (CoSbjOJ

per unit cell.

Lattice constants

a (A) C(A)

Bystrom, Hok, and Mason

(1941) A. 65 9.27

NBS, sample at 25 "C 4. 6539 9.283

The density of cobalt antimony oxide calculated

from the NBS lattice constants is 6.581 g/cm^ at 25° C.

References

Bystrom, A., B. Hok, and B. Mason (1941). The crystal structure of zinc metantimonate and similar compounds, Arkiv

Kami, Mineral. Geol. 15B, No. 4, 1-8.

Internal standard Ag, a = 4.08625 A

CuKaj ^ = 1.5405 A; temp. 25 °C

d (A) I hkl 29C)

4 . 643 9 002 19o 10

4 . 164 16 101 21o32

3 . 292 100 110 27.06

Z 0 DOO rD X119X z 2.576 11 103 34.80

2.328 20 200 38. 65

2 . 254 7 113 39 . 96

2 . 081 5 210 , 202 43 .44

^ . u o X b Z91X X1 1.897 2 114 47.91

1.726 62 213 53 .00

1. 645 19 220, 204 5 5.84

1. 547 8 006 59.73

^ R 9Q -J X fin A Q

1.472 15 310 63.12

1 .4000 16 116 66. 76

1 .3864 20 303 67 . 50

1.3422 1 224 70.04

X Q ^ o o ^ 0

1.2784 2 321 74.10

1.2754 2 107 74.30

1 0 2436 2 322 76.53

1. 2417 2 216 76. 68

X . X X'i X 0

T 9^^ 1.1635 3 400 82.91

1. 1272 9 226 86. 21

1. 1207 1 411 86.83

1.0973 4 330 89. 17

X o D J ? 1 6 Q9 'in I0O6O6 10 413 93.15

1.0408 5 420 95.47

I0OI55 <i 422 98. 66

1.0070 4 109 99.80

u . ^ y X / <± X W X . 7 X .9840 <i 119 103 .02

.9646 <i 415 105.98

.9484 2 228 108. 61

. 9298 6 406 111. 87

Q 9/1 1 LZ z9 X1 Q^ 119 Q'^ XXZ .

0 9127 5 510,432 115.11

0 9112 3 318 115 .40

.8949 6 336 118. 80

0 8913 10 503 119. 58

.8635 7 426 126.26

.,8589 6 309 127.47

. 8322 10 523 135.49

.8227 2 440 138.87

.8057 6 329 145.87

.7981 5 530 149.64

.7861 9 516 156.96

26
Copper Antimony Oxide, CuSb20^ (monoclinic)

Powder Diffraction File cards. None,

Additional published patterns.

and Mason (1941).

Bystrom, Hok,

NBS sample. The sample of copper antimony

oxide was prepared at NBS by a solid state reaction of cupric oxide and antimony pentoxide in a

silver boat at 945 °C in vacuum for 2 hours.

Spectrographic analysis showed the following major impurities: 0.01 to 0.1 percent each of aluminum, calcium, nickel, silicon, and zinc, and 0.001

to 0.01 percent each of silver, barium, chromium,

iron, magnesium, and lead.

The color of the sample was pale yellow green.

The indices of refraction could not be determined

because the sample was too fine-grained.

I/I corundum = 4.5.

Structural data. Bystrom, Hok, and Mason (1941)

determined that copper antimony oxide has a deformed trirutile structure, the space group

C Ih -P2j/n (No. 14), and 2(CuSb206) per unit cell.

Lattice constants

a(A) h(A) C(A)

Bystrom,

et.al.

(1941) 4.63 4.63 9.30 91.55°

NBS,

sample

at

25"C 4.6359 4.6339 9.294 91.14°

The density of copper antimony oxide calculated

from the NBS lattice constants is 6.704 g/cm^ at 25°C.

Reference

Bystrom, A., Hok, B. and Mason, B. (1941). The crystal

structure of zinc metantimonate and similar compounds,

Arkiv Kami, Mineral. Geol. 15B, No. 4, 1-8.

Internal standard Ag, a = 4.08625 A

CuKai ^= 1.5405 A; temp. 25 °C

o d(A) / hkl 26(°)

4 . 650 7 002 19.07

4 . 185 7 101 21.21

4 . 152 9 Oil 21.38

4.120 6 101 21.55

3.274 100 110 27 . 21

2 . 694 2 112 33.23

2 . 660 2 112 33 .67

2 . 599 19 l03 34.48

2.576 37 013 34.80

2.552 17 103 35 . 13

2 . 317 2

200 , 020 3 8. 83

2 . 266 3 Il3 3 9. 74

2 . 247 1 021 40 .09

2 . 236 3 113 40 . 29

2.073 4 022 43 .63

2.057 1 202 43 .98

2.027 2 121 44.66

2 . 019 2 121 44.85

2 .015 2 211 44.95

1. 909 1 114, 212 47 . 60

1 . 885 <1 122 48. 23

1.736 17 213, l05 52 . 68

1 . 730 19 123 52 .88

1.715 17 123 53 .38

1.709 16 213 53 . 59

1 . 638 15 220 56.08

1 . 549 8 006 59.63

1.539 1 124 60.06

1.524 1 031 60 . 72

1. 518 1 301 60.98

1.4656 15 310 63 .41

1.4078 6 116 66.34

1 .3998 2 132 66. 77

1.3928 11 116 67 . 15

1.3826 8 033 67 . 71

1 .3714 5 215, 303 68.34

1 . 3305 1 224 70 . 75

1 . 2995 3 206 72.70

1.2876 oJ 026 73 .48

1. 2759 2 321, 206 74.27

1.1940 4 323 80.3 5 1. 1916 5 233 80 . 54

1. 1825 5 233 81.29

1.1586 5 400, 040 83 . 34

1. 1334 6 226, 324 85.62

27
Copper Antimony Oxide, CuSb20g (monoclinic)— continued

o Internal standard Ag, a = 4.08625 A

CuKttj ^ = 1.5405 A; temp. 25 °C

o a (A) r1 nKl 26(°)

1 . 1179 5 226 87 . 10

1 .0924 6 330 89 . 68

1.0747 4 316 91.57

1.0680 4 136 92.31

1.0629 5 235 92 . 88

1.0614 5 136 93 .05

1.0585 6 143 93.38

1.0551 8 316 93 .78

1.0502 5 413 94.35

1.0363 8 420, 044 96.02

28
Erbium Vanadate, ErVO^ (tetragonal)

Powder Diffraction File cards. None,

Additional published patterns. Milligan, Watt,

and Rachford (1949).

NBS sample. The sample of erbium vanadate was

prepared at NBS. A mixture of erbium oxalate

and vanadium pentoxide was heated at 1100°C for

30 minutes.

Spectrographic analysis showed the following

major impurities: 0.001 to 0.01 percent each of

aluminum, magnesium, and silicon.

The color of the sample was medium brown.

The indices of refraction could not be determined

because the sample was too fine-grained.

corundum = 31 "

Structural data. Milligan, Watt, and Rachford

(1949) determined that erbium vanadate has the

zircon structure with the space group D -I4j/amd

(No. 141) and 4(ErV04) per unit cell.

Lattice constants

a(A) c(A)

Milligan, Watt, and

Rachford (1949) 7.06* 6.24

NBS, sample at 2 5°C 7.0975 6.2723

contains 25% yttrium

The density of erbium vanadate calculated from

the NBS lattice constants is 5.932 g/cm^ at 25 °C,

Reference

Milligan, W. O., Watt, L, M., and Rachford, H. H., Jr. (1949).

X ray diffraction studies of heavy metal orthovanadates,

J. Phys. & Colloid Chem. 53, 227-234.

Internal standard W, a = 3.16504 A

CuKai k = 1.5405 A; temp. 25 °C

o T

I fin I ^tl( 9/^/ 0 1)

4. 704 38 101 18.85

3 . 549 100 200 25.07

2.832 12 211 31.56

2. 660 70 112 33 . 67

2 . 510 22 220 35 . 74

2.3504 5 202 38.26

2 .2134 18 301 40.73

2.0060 12 103 45. 16

1.8783 12 321 48.42

1 . b25U 58 312 49. 93

1.7746 18 400 51,45

1. 7461 4 213 52.35

1. 6d00 4 411 55. 29

1. 5868 12 420 58. 08

1. 5676 5 004 58. 86

1.4758 15 332 62. 92

1.4339 14 204 64.98

1. 3842 5 501 67 . 62

1.3295 12 224 70.81

X. 2720 12 512 74.53

1. 2546 3 440 75.75

1. 1825 5 600 81. 29

1. 1746 7 404, 503 81.95

1. 1564 3 215 82.65

1 . 1471 2 611 84.3 6

1.1345 8 532 85. 52

1.1221 5 620 86. 70

1.1154 10 424 87.35

1.0580 2 325 93 .44

1 . 0434 1 631 95. 16

1.0234 4 116 97.63

1.0190 2 613 98.21

1.0136 2 415 98.91

0.9841 3 640 103 .01

. 9797 4 444, 543 103 . 66

. 9o34 1 721 106. 17

.9560 6 712 107.35

.9478 5 315 108. 71

.9443 4 604, 633 109.31

. 9398 2 505 110.08

. 9126 6 524, 703 115. 14

.8933 5 732 119. 15

.8870 3 800 120 .55

.8718 1 811 124. 13

. 8623 1 217 126. 57

.8605 2 820 127.05

.8450 <1 714 131.45

. 8359 7 660, 516 134. 27

.8335 8 644, 653 135.06

. 7979 5 752 149. 75

.7931 6 840, 536 152.45

I/I

29
Gadolinium Vanadate, GdV04 (tetragonal)

Powder Diffraction File cards. None.

Additional published patterns. Milligan, Watt,

and Rachford (1949), and Nautov (1962).

NBS sample. The sample of gadolinium vana- date was prepared at NBS. A mixture of gadolinium

oxalate and vanadium pentoxide was heated at 800° C for 15 minutes.

Spectrographic analysis showed the following

major impurities: 0.01 to 0.1 percent silicon,

and 0.001 to 0.01 percent each of aluminum, copper, and iron.

The color of the sample was gray yellow. The

indices of refraction could not be determined be- cause the sample was too fine-grained.

I/I corundum 3.1.

Structural data. Milligan, Watt, and Rachford

(1949) determined that gadolinium vanadate

has the zircon structure with the space group

I4i/amd (No. 141) and 4(GdV04) per unit cell.

Lattice constants

n 1'4h

a(A) C(A}

Milligan, Watt, and

Rachford (1949) 7.19 6.33

Nautov (1962) 7.196 6.345

NBS, sample at 25 °C 7.2126 6.3483

The density of gadolinium vanadate calculated

from the NBS lattice constants is 5.474 g/cm^ at 25° C.

References

Milligan, W.O., Watt, L.M., and RacMord, H.H., Jr. (1949).

X-ray diffraction studies of heavy metal orthovanadates,

J. Phys. & Colloid Cham. 53, 227-234. Nautov, V,A. (1962). X-ray study of scandium, yttrium, ce- rium, neodymium, and gadolinium orthovanadates, Zh.

Strukt. Khim. 3, 608-611.

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 °C

o d (A) / hkl 20(°)

4 . 766 28 101 18. 60

3 . 606 100 200 24. 67

2 . 874 12 211 31.09

7/ Ao -L-LZ 119 33.22

2 .551 23 220 35 . 15

2 . 383 4 202 37. 71

2 . 2482 12 301 40.07

2.0303 10 103 44.59

J. . _/ W O J X1 £,9 J ZX 4 / . bl

1. 8520 56 312 49. 15

1. 8030 16 400 50.58

1 . 7694 5 213 51.61

1. 6865 4 411 54.35

1 ft! 97 12 490 -3 / . J O

1.5876 5 004 58.05

1 .4986 16 332 61.86

1.4527 14 204 64.04

1.4067 6 501 55.40

1 . 347 6 10 9 94 • / Z 1.2922 12 512 73.18

1. 2750 2 440 74.33

1. 2020 6 600 79.70

1. 1915 8 404, 503 80.55

1 . 1813 4 Z9 X1 1^R OX • J ^ 1.1656 3 611 82.73

1. 1527 10 532 83.86

1. 1404 6 620 84.97

1. 1313 10 424, 523 85.82

1. 0602 4 631 93 . 19

1.0361 8 116 96,04

-J 1 nn "70 ±uu • / u

0 QQ4.9 5 ^A'\ AAA X *-* X • J /

. 7 / X X 8 1 C\A Q7

.9599 4 316 106. 72

.9531 4 505 107.83

.9261 6 703, 624 112.55

. 9077 6 732 116.12

.8472 8 516 130. 78

.810 7 6 752 143 . 55

.80^0 10 536 146 . 65

. 7840 6 833, 804 158.54

30
Iron(II,III) Oxide (magnetite), Fe304(cubic)

Powder diffraction card. No. 11-614, Basta

(1957).

Additional published patterns. Holgersson(1927),

Jung and Kohler (1930), and Hanawalt, Rinn, and

Frevel (1938).

NBS sample. The sample of iron(II,III) oxide

was obtained from the Columbian Carbon Co., New

York 17, N.Y.

Spectrographic analysis showed the following

major impurities: 0.01 to Ool percent cobalt and

0.001 to 0.01 percent each of silver, aluminum,

magnesium, manganese, molybdenum, nickel, silicon, titanium, and zinc.

The sample was a black opaque powder.

- 4 9 corundum "

*

Structural data. Bragg (1915) determined that

iron(lI,lIl) oxide has the spinel structure, the space

group Oj-Fd3m (No. 227) and 8(Fe304) per unit

cell.

Lattice constants

a(A)

Goldschmidt (1942) 8.43

Lindroth (1946) 8.416

Mason (1947) 8.398

Pouillard (1950) 8.413

Tombs and Rooksby (1951) , 8.3940

Abrahams and Calhoun (1953)

sample at 22°C. 8.3940

Yearian et al. (1954ymetal rich8.396

loxygen rich- 8.390

Radavich (1955) - 8.3 94

Basta (1957), sample at 18"C. 8. 3963

NBS, sample at 25"C. 8.396

The density of iron(lI,IIl) oxide calculated from

the NBS lattice constant is 5.197 g/cm^ at 25°C,

References

Abrahams, S.C. and Calhoun, B.'A. (1953). The low temperature transition in magnetite. Acta Cryst. fi, 105. Basta, E. Z. (1957). Accurate determination of the cell dimensions of magnetite, Mineralog. Mag. 31, 431-442.

Bragg, W.H. (1915). The structure of the spinel group of crystals. Nature 95, 561. Goldschmidt, H.J. (1942). The crystal structures of Fe, FeO,

and Fe304 and their interrelations, J. Iron and Steel

Inst. (London) 146, 157-181. Hanawalt, J. D., Rinn, H. W., and Frevel, L. K. (1938). Chemical analysis by x-ray diffraction, Ind. Eng. Chem. Anal. Ed. 10, 457-512.

Holgersson, S. (1927). X-ray examination of the minerals of the spinel group and oi synthesized substances of the spinel

type, Lunds Univ. Arsskr. II, 23, 9.

Internal standard W, a = 3.16504 A

CuKaj \

O = 1.5405 A; temp. 25 (^

d (A) / hkl 2e(°)

o a (A)

4 . 85 2 8 111 18. 27 Q /in o . 4U

2 . 967 28 . 220 30.09 8.393

2.532 100 311 35.42 8. 398

2 .4243 7 222 37.05 8.398

2.0993 21 400 43 .05 8. 397

1.7146 10 422 53 .39 Q yi n n o . ^UU

1 . 6158 27 511 56.94 8.396

1.4845 41 440 62 . 51 8.398

1.4192 2 531 65. 74 8.396

1.3277 4 620 70.92 8.397

1 . 2807 9 533 73.95

1 . 2659 4 622 74.96 8.397

1. 2119 2 444 78. 93 8.396

1.1221 3 642 86. 70 8.397

1.0930 12 731 89.61 8.396

1 . 0496 5 800 94.42 b . J 9 / 0.9896 2 822 102 .21 8. 397

. 9695 6 751 105. 21 8.396

. 9632 3 662 106 . 20 8.397

.9388 3 840 110, 27 8.397

.8952 2 664 118. 73 8 . 398

. 880 2 5 931 12 2.09 8. 397

.8569 7 844 128.03 8.396

.8233 3 10. 2.0 138. 63 8. 395

. 8117 S 951 143.23 8. 396

. 8080 4 10. 2. 2 144. 82 8. 397

Jung, H. and Kb'hler, E. (1930). Untersuchungen iiber den

Thuringit von Schmiedefeld in Thuringen, Chem. Erde

5, 182-200.

Lindroth, G.T. (1946). The formation of pyritiferous iron ores

through sulphidization and the nature of magnetic pyrites,

Jernkontorets Ann. 130, 27-75. Mason, B. (1947). Mineralogical aspects of the system Fe304-

Mn304-ZnMn204-ZnFe204, Am. Mineralogist 32, 426-

41. Pouillard, E. (1950). Sur l_e comportement de I'alumine et de

I'oxyde de titane vis-a-vis des oxydes de fer. Deuxieme

partie. Etude du systeme Ti02-Fe203 -FeO, Ann. Chim.

CParis) \j.2} 5, 164-214.

Radavich, J.F. (1955). Oxidation at elevated temperatures;

symposium on basic effects of environment on the

strength, scaling, and embrittlement of metals at high

temperatures. Am. Soc. Testing Materials Spec. Tech.

Publ. No. 171, 89-113.

Tombs, N.C. and Rooksby, H.P. (1951). Structure transition and antiferromagnetism in magnetite. Acta Cryst. 4, 474-75.

Yearian, H. J., Kortright, J. M., and Langenheim, R. H. (1954)

Lattice parameters of the FeFe.j ^jCr^O. spinel sys- tem, J. Chem. Phys. 22, 1196.

I/I

31
Lead Oxybromide, PbsO'2^^2 (orthorhombic)

Powder Diffraction File cards. No. 6-0330,

Lamb and Niebylski (1953), andNo. 6-0412, Thornton Research Centre, The Shell Petroleum Co.,

Ltd. (1954).

Additional published patterns. None.

NBS sample. The sample of lead oxybromide was

prepared at NBS from red lead monoxide and lead

bromide. A stoichiometric mixture was placed on

gold leaf, sealed in an evacuated tube, and heated

3/4 hr. at 350° C.

Spectrographic analysis showed the following

major impurities: 0.01 to 0.1 percent each of

bismuth, molybdenum, silicon, and strontium, and

0.001 to 0.01 percent each of alumunim, barium,

calcium, chromium, copper, iron, sodium, nickel,

titanium, and vanadium.

The color of the sample was yellow white. The

indices of refraction could not be determined be- cause the sample was too fine-grained

Structural data. Davies (1957) determined that

lead oxybromide has the space group Dsh-Pbnm

(No. 62), and 4(Pb302Br2) per unit cell.

Lattice constants

Thornton Research

Centre (1954)

Davies (1957)

NBS, sample at

25^0

a(A) b(A) C(A)

9.7

9.81

9.8162

12.1

12.25

12.253

5.88

5.88

5.8754

The density of lead oxybromide calculated from

the NBS lattice constants is 7.645 g/cm^ at 25° C.

References

Davies, P.T. (1957), An x-ray study of lead dioxybromide. Acta Cryst. 10, 791. Lamb, F.W. and Niebylski, L.M. (1953), Phase study of the PbO-PbBrj system by x-ray diffraction, J. Am. Chem.

Soc. 75, 511-518.

Thornton Research Centre, The Shell Petroleum Co., Ltd.

(1954), X-ray Diffraction Patterns of Lead Compounds,

34-35.

Internal standard Ag, a = 4.08625 A

CuKai 1.5405 A; temp. 25 °C

d(A) / hkl 2e{°)

1 .<ol 54 110 11.53

5.20 23 120 17.03

4.91 7 200 18.06

4.66 2 111 19.04

6 X 3.895 39 121 22.81

3.771 3 130 23.57

3.600 48 211 24.71

3.172 75 131 28.11

64 O Q ^1 ZD . 4X

2.937 95 002 30.41

2.857 92 301 31.28

2.783 40 311 32.14

2.715 100 041 32.96

Z . 33 / y j4 • 2.591 9 321 34. 59

2.554 13 33Q 35.11

2.522 3 202 35. 57

2.454 4 400 36.59

^ • J / D 4**«X 77 RA

2.317 2 132 38.83

2.278 7 420 39.53

2.236 28 340 40.29

2.145 43 232 42.09

/ 4Z « 3 J 2.058 4 322 43.95

2.042 6 060 44.32

2.000 4 160 45.31

1.962 5 350 46.24

X . 3 J O J xw 46 83

1 . 927 9 332 47 • 11

1 . 861 7 412, 351 48 . 90

1. 842 5 511 A C\ A A 49 . 44

1. 833 6 123 49 . 59

1. 822 441 50 .03

1.800 12 422,213 50.67

1.779 29 342 51.30

1,738 9 133 52.61

1.724 9 170 53 .08

1. 694 16 531 54.08

1.680 18 303 54.57

1.663 14 451 55.19

1.650 20 043 55.65

1^631 7 352 56.36

1.621 8 610,323 56.73

32
Lead Qxybromide, Pb302Br2 (orthorhombic)—continued

o Internal standard Ag, a = 4.08625 A

CuKaj ^ = 1.5405 A; temp. 25 °C

o a (A) 1 nkl 29(°)

1 . 6182 9 512 56. 85

1 . 5878 16 271 58 . 04

1 . 5637 3 243 , 611 59 . 02

1.5314 4 080 60.39

X • ^ ^ O D J 'oz.i- fin fii

1.5167 5 461 61.04

1.4921 3 371,362 62.16

1.4865 5 172 62.42

1.4694 11 004 63.23

1.4200 5 612 65.70

33
Lead Tungstate (stolzite), PbWO^ tetragonal (revised)

Powder Diffraction File cards. No, 8-108 (natural), Claringbull and No. 8-476 (1957) National

Bureau of Standards. These new NBS data are

essentially the same as reported by us on card

No. 8-476. However, the x-ray pattern was rerun

to pick up additional weak lines which slower diffractometer scanning brought out.

NBS sample. This sample was also prepared

by precipitation of solutions of lead nitrate and

sodium tungstate.

Spectrographic analysis showed the following major impurities: 0.01 to 0.1 percent silicon, and

0.001 to 0.01 percent each of aluminum, chromium, iron, and molybdenum.

The color of the sample was very pale yellow

white. The indices of refraction could not be

determined because the sample was too fine-grained.

I/I corundu 8.3.

Structural data. Vegard and Refsum (1928) determined that stolzite has the calcium tungstate

structure, the space group C4h-14i/a (No. 88) and

4(PbW04 ) per unit cell. Shaw and Claringbull

(1955) reported that the monoclinic lead tungstate,

raspite, transforms irreversibly to stolzite at about 400 °C.

Lattice constants

a(A) C(A)

NBS (1957) , sample at

25"C 5.4616 12.046

NBS, sample at 25°C 5.4619 12.049

The density of stolzite calculated from the NBS

lattice constants is 8.408 g/cm^ at 25 °C,

References

Swanson, H. E., Gllfrich, N. T., and Cook, M. I. (1957). Stand- ard X-ray Diffraction Powder Patterns, Natl. Bur. Standards (U.S.) Circ. 539, No. 7, 24. Shaw, R. and Claringbull, G. F. (1955). X ray study of raspite

(monoclinic PbWO,), Am. Mineralogist 40, Nos. 9 and

10, 933. Vegard, L. and Refsum, A. (1927). Further Investigations on

the structure of crystals belonging to the scheelite group, Neues Jahrb. Mineral. Geol. 1928, Part I, 207-208.

o Internal standard W, a = 3.16504 A

ai \ = 1.5405 A; temp. 25

o a (A) 7 hkl

3 .248 100 112 27.44

3 .012 22 004 29„63

2.732 32 200 32.75

2 .489 <1 36.05

2.395 1 211 37.52

2 .376 2 114 37.83

2.205 1 105. 40.89

2o087 2 213 43.31

2.024 -J K O -J 44.73

1„931 16 220 47.01

1.838 <1 222 49.55

1.7997 <1 301 50.68

1.7820 21 116 51.22

lo 6606 55.27

1.6258 16 224 56.56

1 . 5065 3 008 61.50

1.4175 <1 323 65.83

1.3656 4 400 68.67

1.3187 7 9nc 71.48

1.3093 11 316 72.07

1.2588 6 332 75.45

1.2436 5 404 76.54

1 .2213 5 420 78.20

1.1876 c O 0 Q Z ,^ O 80.87

1. 1501 4 l-l-lO 84.09

lo 1318 7 424 85.77

lo0838 4 336 • 90.58

1.0547 6 512 93 .82

loOllS 3J 99. 19

1.0039 1 0.0-12 100.21

0o9881 6 3 • 1- 10 102.43

.9655 1 440 105.83

.9486 3 428 108.58

.9451 z> D -L D 109.17

o9424 2 2-0-12 109. 63

o9256 4 53 2 112.65

.9194 2 444 113.81

.9105 1 600 115.55

.8908 3 Z9-9-19 Z xz 119.69

.8796 3 3 -3 .10 122.24

o8714 3 604 124.24

.8636 3 620 126.23

.8489 5 536 130.29

.8400 3 1 - 1 . 14 132.97

o OJ U X 5 624 X J u . ^ X

. 8128 2 448 142.75

.8089 3 4-0-12 144.44

. 8005 5 5-1-10 148.38

.7790 3 608 162.78

34
Lithium Barium Trifluoride, LiBaFg (cubic)

Powder diffraction cards. None.

Internal standard W, a = 3.16504 A

Additional published patterns. None. CuKai k = 1.5405 A; temp. 25

NBS sample. The sample of lithium barium d (A) / hkl 2e(°) a (A)

trifluoride was made at NBS bv fusing stoichio

metric amounts of anhydrous lithium and barium

fluorides at approximately 800° C, and annealing 3 . 994 100 100 22 o 24 3 . 994

at 500° C for several hours to react with the small 2

823 85 110 31 . 67 3 . 992

percent of BaFz which formed because of the in 2. 307 83 111 39 .01 3. 996

congruent crystallization of LiBaFj. 1. 997 47 200 45 .38 3 . 994

Spectrographic analysis showed the following 1. 7868 34 210 51 . 07 3 . 9956

major impurities: 0.1 to 1.0 percent strontium;

0.01 to 0.1 percent aluminum; and 0.001 to 0.01 1. 6307 30 211 56 .37 3

9944

percent each of iron, sodium, rubidium, silicon, 1. 4123 20 220 66 . 10 39946

and titanium. 1. 3318 15 300 70 .67 3 . 9954

The sample was almost colorless. The index 1. 2633 11 310 75 . 14 3 . 9949

of refraction was 1.544. 1. 2044 17 311 79 .51 3 . 9945

I/l , - 0.8. */ corundum 1. 1531 6 222 83 . 82 3 . 9945

Structural data. Ludekens and Welch (1952) re 1. 1080 5 320 88 .08 3. 9949

ported that lithium barium trifluoride has an 1. 0676 10 321 92 .35 3 . 9946

undistorted "inverted" perovskite structure with 0. 9986 5 400 100 .95 3 . 9943

the space group 0^ -Pm3m (No. 221) and 1 9689 g 410 105 .30 3. 9950

(LiBaF3 ) per unit cell.

9417 7 411 109 .74 3 . 9952

Lattice constants 9165

8934

8

Cio 331

A on 114

119

.37

.13

3.

3.

9949

9952

a(A)

8718 5 421 124 .15 3. 9949

8516 6 332 129 .50 3. 9946

Ludekens and Welch (1952)

NBS, sample at 25°C

3.996

3.9950

8155

7990

7835

8

5 13

422

500

510

141

149

158

.63

.15

.88

3.

3.

3.

9953

9951

9951

The density of lithium barium trifluoride calculated from the NBS lattice constant is 5.242

g/cm3 at 25° C.

Reference

Ludekens, W.L.W. and Welch, A.J.E. (1952). Reactions be- tween metal oxides and fluorides: some new doublefluoride structures of type ABF3, Acta Crysr 5, 841.

35
Lutetium Arsenate, LuAsO^ (tetragonal)

Powder Diffraction File cards. None.

Additional published patterns. None.

NBS sample. The sample of lutetium arsenate

was prepared at NBS from lutetium oxide and arsenic trioxide. The mixture was heated 1 hr. at 1050°C. Later it was heated again for 1 hr. at 1250°C.

Spectrographic analysis showed the following

major impurities: 0.1 to 1.0 percent silicon; 0.01

to 0.1 percent each of aluminum and calcium; and

0.001 to 0.01 percent each of copper, iron, magnesium, nickel, lead, antimony, and titanium.

The sample was colorless. The indices of refraction could not be determined because the sample was too fine-grained.

corundum = 64

Structural data. No reference to the structure

of lutetium arsenate was found, but it is apparently

isostructural with yttrium arsenate with the space

group D4h-I4j/amd (No. 141) and 4(LuAs04) per

unit cell.

Lattice constants

a(A) C(A)

NBS, sample at 25 °C 6.9509 6.2321

The density of lutetium arsenate calculated from

the NBS lattice constants is 6.924 g/cm^ at 25°C.

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 °C

d(A) / hkl 20(0)

4.643 22 101 19.10

3.477 100 200 25.60

2. 783 6 211 32.14

2.632 73 112 34.03

2.458 25 220 36.53

2.321 3 202 38.77

2.172 10 301 41.54

1.991 6 103 45.52

1.8422 8 321 49.43

1.7964 57 312 50.78

continued

d (A) 7 hkl 26C)

1. 7375 16 400 52 . 63

1.7275 2 213 52 . 96

1. 6271 2 411 56. 51

1 . 5578 6 004 59. 27

1.5541 15 420 59.42

1.4499 15 332 64 . 18

1.4215 12 204 65.62

1.4131 <1 323 66.06

1. 3568 3 501 69. 18

1.3158 9 224 71.66

1. 3092 1 413 72.08

1.2489 13 512 76. 16

1. 2287 3 440 77. 64

1. 1598 5 404 83 . 23

1.1584 3 600 83.35

1. 1239 <1 611 86. 52

1 . 1135 9 532 87 . 54

1. 1002 11 424 88. 87

1.0468 <1 325 94. 75

1.0221 <1 631 97.81

1.0162 4 116 98.57

1.0017 <1 415, 613 100.52

0.9806 <1 701 103.53

.9643 5 444, 640 106.02

.9621 4 543 106.38

.9438 <1 721 109.40

. 9390 7 316 110.22

10 712 110.51

3 604 111.90

.8981 6 624 118.11

. 8771 3 336 122.84

R7RR 6 732 123 . 15

8^89 1 800 124.87

. 8559 <1 217 128. 29

.8540 1 741 128.83

. ^ o 3 820 132 . 10

7 516 137 . 60

6 644 140.00

.8082 <1 327 144. 72

.8065 <1 831 145.53

.7964 <1 743 150.57

. 7873 <1 417 156.13

.7831 7 536 159.25

I/I

36
Lutetium Vanadate, LuVO. (tetragonal)

Powder Diffraction File cards. None.

Additional published patterns. Milligan, Watt, and

Rachford (1949).

NBS sample. The sample of lutetium vanadate

was prepared at NBS by precipitation from a solution of sodium vanadate and lutetium sulfate. It was annealed 15 hours at 1300°C.

Spectrographic analysis showed the following

major impurities: 0.01 to 0,1 percent each of

calcium and silicon and 0,001 to 0.01 percent each

of aluminum, cobalt, iron, magnesium, and tin. The color of the sample was yellow white. The

indices of refraction could not be determined be- cause the sample was too fine-grained,

corundum = 37*

Structural data. Milligan, Watt, and Rachford

(1949) determined that lutetium vanadate has the

zircon structure, with the space group D^g-I4j/amd

(No. 141) and 4(LuV04) per unit cell.

Lattice constants

a(A) C(A)

Milligan, Watt, and

Rachford (1949) 7.00 6.21

NBS, sample at 25"C 7,0243 6.2316

The density of lutetium vanadate calculated from

the NBS lattice constants is 6,262 g/cm^ at 25 °C,

Reference

Milligan, W. O., Watt, L. M., and Rachford, H, H., Jr. (1949).

X-ray diffraction studies of heavy metal orthovanadates,

J. Phys. & Colloid Chem. 53, 227-234.

Internal standard W, a = 3. J 6504 A

CuKai \ = 1.5405 A; temp. 25 °C

d(A) / hkl 20(°)

4.660 41 101 19.03

3.510 100 200 25.35

2.805 12 211 31.88

2.540 65 112 33.92

2.483 17 220 36. 15

2.330 3 202 3 8. 60

2.191 14 301 41.16

1.9918 9 103 45. 50

1.8592 9 321 48.95

1.8090 43 312 50.40

continued

o d(A) / hkl 20(°)

1 . 7558 1 o 1

4UU /inn b2 . 04

X • / J ^ J 3 213 52 . 80

1 . 5434 4 411 55, 90

10 420 58. 75

1 . 5 580 004 59. 25

1.5544 J

' 303 59.41

-L . U ^ X 11 332 63 . 58

1 . 4240 9 204 65,49

^ T 7m 12 501 58.40

X . .J X ^'-t ] '

2 24 71,43

1.3] 71 413 71,58

1.27 53 3 521 74. 24

1 . 2598 10 512 75.38

1 . 2417 2 440 76. 68

1 . 1708 3 600 82.28

1. 1538 5 503 82.88

1 . 13 54 <1 511 85 .44

1 , 1238 5 532 85.53

1 . 1106 3 620 87 . 82

1 , 1051 5 424 88. 27

1.0806 2 541 90.93

1,0499 <1 325 94.38

1,0326 <1 631 95,47

1,0167 2 115 98,50

1,0093 1 513 99.48

1,0058 1 415 99,95

0 , 9908 cl 701 102,05

,9742 1 640 104,49

Q71 9 1 444 104,95

Q R ^ ^ 1 721 107. 76

,9465 4 712 10b. 33

3 316 109. 89

, J u >-/ 1 504 110. 76

, ^ o ^ w <1 505 111.35

3 524 116. 79

,8844 2 732 121.13

, O O W v-* 1 335 122.15

R7R0 <1 800 122. 54

R7 <1 7 23 123 .3d

O U .J J V.1 811 126.39

.8567 1 217 128.08

* RmO ^ X q^ 2 820 129.41

2 516 13 6.46

9 R9<D Z, UR QZ/ 3 644 137 . 58

.8151 <1 831 141.81

. 8037 ^ 1 327

. b034 <1 813 l43. 95

.7897 5 752 154.50

.7858 3 536 156.45

.7853 840 157,51

I/I

37
Potassium Cadmium Trichloride, KCdClg (orthorhombic)

Powder diffraction cards. None.

Additional published patterns. None.

NBS sample. The sample of potassium cadmium

trichloride was prepared at NBS by melting potassium chloride and cadmium chloride (2 1/2

hydrate) at 550° C. Spectrographic analysis showed

the following major impurities: 0.001 to 0.01 percent each of aluminum, barium, chromium, iron,

manganese, sodium, rubidium, and strontium.

The sample was colorless and optically positive

with a small 2V. The refractive indices were

= 1.700, N^ = 1.708, and N^ = L742.

corundum J- • O.

Structural data, Brandenberger (1947) reported

that potassium cadmium trichloride is isostructural with ammonium cadmium trichloride, with

the space group -Pnam (No. 62) and 4(KCdCl3)

per unit cell.

Lattice constants

a(A) b(A) c(A)

Brandenberger

(1947) 8.78 14. 56 3.99

NBS , sample at

25°C 8. 785 14. 584 3.9969

±0.001 ±0.001 ±0.0004

The density of potassium cadmium trichloride

calculated from the NBS lattice constants is

3.345 g/cm^ at 25° C.

Reference

Brandenberger, E. (1947). Die Kri stall struktur von KCCdClj),

Experientia 3, 149.

Internal standard W, a = 3.16504 A

CuKai k = 1.5405 A; temp. 25 °C

o ari /A \ (A) r1 rlRl 26(°)

1

52 62 110 11.75

7 . 28 79 020 12.14

5 . 615 60 120 15.77

4.396 16 200 20.18

4. 253 17 130 20.87

4. 209 17 210 21.09

3.760 15 220 23 . 64

3.648 6 040 24.38

3.531 64 111 25. 20

3.368 27 140 26.44

3 . 259 34 230, 121 27.34

3.086 9 031 28. 91

2 . 956 24 201 30 . 21

2.897 52 211 30.84

2.871 7 310 31. 12

2 . 806 19 240 31. 87

2.768 29 150 32.31

2.740 100 221 32. 65

2.718 20 320 32.92

2.526 15 231 35. 51

2 . 509 7 330 35.76

2 .429 13 060, 250 36. 97

2 .356 40 051 38. 17

2.343 26 160 38.39

2.295 5 241 39.22

2 . 283 4 340 39.44

2. 125 3 331 42.51

2. 103 3 420 42.98

2.076 7 251 43.55

2.068 7 350 43.74

2.026 9 170 44.68

2.021 11 161 44.81

1.998 36 002 45 . 34

1.982 32 341 45.73

1.925 13 401 47 . 17

1 . 882 13 122, 270,48.32

1 . 879 11 261 48.41

1. 870 10 360 48. 65

1 . 860 13 421 48. 92

1.8478 6 071 49.27

1.8232 5 080 49.98

1.8077 23 132, 171 50.44

1.7892 5 431 51.00

1.7650 4 222 51.75

1.7546 8 450 52.08

I/I

38
Potassium Cadmium Trichloride, KCdCl, (orthorhombic)-Con

Internal standard W, a = 3.16504 A

CuKtti K = 1.5405 A; temp. 25

d(A) 7 hkl

1 . 7446 4 510 52 .40

1 . 7187 6 142 53.25

X . iKill 8 520 53.62

1 "7 n *:> A i . /U3U 10 23 2, 271,+ 53.78

1.6975 7 370 53 .97

1 . 6940 3 361 54.09

1 /" o o o

2 280 54.44

1

d404 3 312 56.01

1 . 6292 7 460 , 181 56.43

1.6205 5 152 56.76

1 . bozb 540 58. 25

1 . 5625 2 33 2,371 59.07

1 . 5438 4 062 , 252 59.86

1 . 5271 5 531 60.58

1.5205 7 290, 162 60.87

1 . 5056 3 550 61 . 54

1 . 5034 A4 342 61. 64

1 .4805 4 191 62.70

1.4719 4 541 63. 11

1 A CA A Z bUU 63 .47

1.4383 6 I-IO-O 64.76

1.4355 8 620 64.90

1.4240 6 560 65.49

1.4180 10 390 65.80

39
Praseodymium Vanadate, PrV04 (tetragonal)

Powder Diffraction File cards. None.

Additional published patterns,

and Rachford (1949).

Milligan, Watt,

NBS sample. The sample of praseodymium

vanadate was prepared at NBS. A mixture of

praseodymium oxalate and vanadium pentoxide

was heated at 850° C for 30 minutes.

Spectrographic analysis showed the following

major impurities: 0.01 to 0.1 percent each of

aluminum and silicon, and 0.001 to 0.01 percent

each of silver, iron, and magnesium.

The color of the sample was gray green yellow.

The indices of refraction could not be determined

because the sample was too fine-grained.

I/I, 3.2.

Structural data. Milligan, Watt, and Rachford

(1949) determined that praseodymium vanadate

has the zircon structure with the space group

-14i/amd (No. 141) and 4(PrV04) per unit cell.

Lattice constants

ni9

a(A) C(A)

Milligan, Watt, and

Rachford (1949) 7.29 6.41

Vickery and Klann (1957) 7.31 6.45

Schwarz (1963) 7.3 67 6.468

NBS, sample at 25"C 7 .3633 6.4652

The density of praseodymium vanadate calculated

from the NBS lattice constants is 4.848 g/cm^ at 25°C.

References

Milligan, W. O., Watt, L. M. and Rachford, H. H., Jr. (1949).

X-ray diffraction studies of heavy metal orthovanadates,

J. Phys. & Colloid Chem. 53, 227-234.

Schwarz, H. (1963). Uber die Chromate(V) der Seltenen Erden,

II. Praseodymchromat(V) PrCrO^, Z. anorg. u allgem.

Chem. 322, 15-24. Vickery, R. C. and Klann, A. (1957). Magnetic susceptibilities

of vanadates of neodymium and praseodymium, J. Chem.

Phys. 27, 1219.

Internal standard W, a = 3.16504 A

CuKai k = 1.5405 A; temp. 25 °C

d (A) 7 hkl

4 . 862 28 101 18 . 23

3 . 682 100 200 24 . 15

2.936 10 211 30.42-

2.747 68 112 32.57

2. 604 22 220 34.41

2 . 430 4 202 3 6.96

2.295 16 301 39.22

2.069 10 103 43 .71

1.947 10 321 46. 60

1.889 53 312 48.11

1 . 841 16 400 49 . 47

1 . 803 4 ^ -L -J SO 5R

1.721 3 411 53.17

1.647 12 420 55.78

1. 620 5 303 56.78

1 . 617 5 004 56 . 91

1.529 12 332 60.49

1.480 12 204 62.70

1.435 5 501 64.92

1.373 9 224 68. 23

1.318 12 512 71.50

1.3011 3 440 72 . 60

1. 2272 35 600 77.75

1.2150 8 404 78.69

1.2036 3 215 79. 58

1. 1901 2 611 80 . 66

1 . 1763 7 532 81. 81

1.1644 5 620 82.83

1.1535 8 424 83.79

1.0929 2 325 89. 62

1 0822 2 631 90 . 75

1. 0553 6 613, 116 93 . 75

1.0475 1 415 94.67

1.0214 2 640 97.90

1.0140 2 444 98.85

U . -L Z D 712 101 . 9y

Q "7 "7 D 631J J / J316J_ W 103 . 94

. 9448 4 624 109.23

. 9264 4 732 112.49

. 9157 3 336, 723 114.52

.8931 3 820 119.19

. 863d 10 653, 516 126. 24

. 8412 2 327, 813 132. 61

. 8275 2 752 137.14

. 8198 3 536 13 9.95

. 7999 3 833,804 148. 72

.7893 4 208 154.76

. 7887 3 912 155.19

40
Rubidium Cadmium Trichloride, low form, RbCdCl3 (orthorhombic)

Powder diffraction cards. None.

Additional published patterns. None.

NBS sample. The sample of rubidium cadmium

trichloride was precipitated at NBS from solutions

of rubidium chloride and cadmium chloride.

Spectrographic analysis showed the following

major impurities: 0.1 to 1.0 percent each of ces- ium and potassium; 0.01 to 0.1 percent sodium;

and 0.001 to 0.01 percent each of aluminum, barium,

calcium, chromium, copper , iron, nickel, silicon,

and strontium.

The sample was colorless and optically positive with a very small 2V. The refractive indices

were Na = 1.694, N^ = 1.696, and N^ = 1.736.

^/I corundum ~ 2,2,

Structural data. MacGillavry, Nijveld, Dierdorp, and Karsten (1939) determined that orthorhombic rubidium cadmium trichloride is isostructural with ammonium cadmium trichloride,

with the space group Dah-Pnam (No. 62) and

4(RbCdCl3) per unit cell. In recent work here,

two high temperature forms were also observed

for rubidium cadmium trichloride. Between 135°C

and 190° C a tetragonal phase exists which persists

at room temperature for a day or two. Above

190° C a cubic form was noted on the hot stage of a microscope. This cubic form reverts to tetragonal

again below 190° C.

Lattice constants

MacGillavry, et

al. (1939)

NBS, sample at

25°C

a(A) b(A) c(A)

9.03

8.959

±0.001

14.96

14.976

±0.002

4.02

4.0346

±0.0004

The density of orthorhombic rubidium cadmium

trichloride calculated from the NBS lattice constants is 3.733 g/cm^ at 25°C.

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 °C

d (A) / hkl

1 . 67 28 110 11.52

7 .47 34 020 11.83

5 . 741 25 120 15.42

4.480 5 200 19.80

4.358 45 130 20.36

4 . 289 32 210 20. 69

3 . 840 14 220 23 . 14

3 . 740 4 040 23 . 77

3.570 57 ill 24.92

3.452 31 140 25.79

3.332 25 230 26.73

3 .300 20 121 27.00

3 . 138 7 031 28.42

2.996 11 201 29.79

2.960 10 131 30.17

2.934 1 211 30.40

2.930 j- 64 310 30.48

2. 871 18 240 31. 12

2.839 31 150 31.48

2.782 221 32.15

2 . 775 j- 100320 32. 23

2.623 4 141 34. 15

2.570 1 231 34.88

2.563 } 330 34.98

2.491 4 250 36.03

2 .404 48 051, 160 37.38

2.371 6 311 37 . 91

2.336 15 340 38. 51

2.287 11 321 39.37

2.214 2 410 40.71

2 . 181 2 260 41.37

2. 164 6 331 41.71

2 . 146 2 420 42 .06

2.115 3 3 50 42.71

2.081 3 170 43.44

2.066 8 161 43 . 77

2 . 044 12 430 44. 28

2 .021

\ 48 341 44 . 80

2.017 002 44.90

1.9580 13 401 46.33

1.9305 10 270 47.03

1.9178 9 261 47.36

1.9148 9 360 47.44

1.8941 421 47.99

1.8900 }

^ 071 48.10
Rubidium Cadmium Trichloride, low form, RbCdCls (orthorhombic)— Con.

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 °C

d (A) I hkl 26(°)

1.8721 5 080, 351 48. 59

1.8496 14 171 49. 22

1.8308 14 132 49.76

1.8235 16 431 49.97

1. 7937 9 450 50 . 86

1. 7790 2 510 51.31

1.7418 142,271,+ 52.49

1.7387 i 370 52. 59

1.7296 6 361 52.89

1.7259 5 232 53 . 01

1„6684 4 181 54.99

1. 6512 242 55.61

1.6455 1 ^ 152 55.84

1. 6395 4 451 56.04

1. 6313 5 322 56.35

1.6163 2 540 56.92

1. 6004 1 521 57.54

1.5679 1 252 58.85

1. 5560 6 531 59.34

1 . 5454 5 162 59. 79

1.5412 3 461 59.97

1.5264 3 342 60.61

1.5160 5 191 61.07

1.5005 5 541 61.77

1 . 4936 2 600 62 .09

1.4642 5 620 63.48

1.4535 6 390 64.00

1.43 63 7 480, 551,

64.86

1.3948 5 272,611 67.04

1.3871 3 1- 10- 1, 640 67.46

1.3762 4 621 68.07

1.3726 4 082 68.27

1.3679 3 391 68.54

1.3534 3 481 69.38

1.3460 1 l-ll-O 69.81

1.3402 5 452,2-10-1 70.16

Reference

MacGillavry, C. H., Nijveld, H., Dierdorp, S., and Karsten, J. (1939). DieKrystallstrukturvonNH.CdCl, undRbCdCl,,

Rec. trav. chlm., 58, 193-200.

42
Rubidium Cadmium Trichloride, high form, RbCdClj (tetragonal)

Powder diffraction cards. None.

Additional published patterns. None.

NBS sample. The sample of rubidium cadmium

trichloride was prepared at NBS by fusing rubidium chloride with anhydrous cadmium chloride at approximately 500° C.

Spectrographic analysis showed the following

major impurities; 0.1 to 1.0 percent each of

cesium and potassium, and 0.01 to 0.1 percent of

sodium.

The sample was colorless. The crystals were

optically uniaxial negative with very low double

refraction, both indices being near 1.662.

Structural data. There is no published data on

this form of rubidium cadmium trichloride. Its x-ray pattern is, however, very similar to cesium

lead trichloride which has a tetragonal distorted

perovskite structure. Rubidium cadmium trichloride has a superstructure requiring a double

cell with 8 (RbCdClj) per cell.

This form is unstable at room temperature

and inverts in a few days to the orthorhombic

(low) form described by MacGillavry, Nijveld,

Dierdorf, and Karsten (1939). Observations on

a hot stage petrographic microscope show that

the low form changes to the high form between

135° and 140° C. At about 190° C this form is seen to lose its double refraction, evidently

changing to another high form, an undistorted

cubic perovskite. This last change is rapidly

reversible.

Lattice constants

a(A) c(A)

NBS, sample at 25°C 10.304 10.399

± .001 ± .001

The density of rubidium cadmium trichloride,

high form, calculated from the NBS lattice constants is 3.661 g/cm^ at 25° C.

Reference

MacGillavry, C.H., Nijveld, H., Dierdorf, S., and Karsten, J. (1939). Die Krystallstruktur von NH4CdCl3 undRbCdClj,

Rec. Trav. Chim. 58, 193.

Internal standard W, a = 3.16504 A

CuKaj K = 1.5405 A; temp. 25 °C

d(A) / hkl 20(°)

5.196 14 002 17.05

5.152 18 200 17.20

3.655 100 202 24.33

3. 262 4 301,310 27.32

'X 111 <^ O X X

2.985 10 222 29.91

2.761 2 312 32.40

2.599 28 004 34.48

2.5 50 46 400 34.81

• J Z -L D J o . / /

2.305 9 420 39.05

2.116 24 224 42.69

2.107 35 422 42.88

1.830 25 404 49.79

X . oZ Z Oo

1.7 24 5 424 53.07

1. 720 2 442 53. 22

1. 6428 6 206 55.92

1.6295 8 602 56.42

J- , H:^ Z ± QO A A /\

1.3850 8 426 67.59

1.3805 10 624 67.84

1.3778 4 642 68.00

1. 2519 3 644 75.94

X . Zft J o z / O . X X

1.2243 3 228 77.97

1. 2203 3 606 78. 28

1.2147 5 660, 822 78. 71

1.1603 3 408 83.19

1 1 c; o c X • 1 D J D

A

fir /t 1 Q ft XO 7 Q

1.1513 3 840 83.98

1. 1023 2 646 88. 66

1,1004 3 664 88.85

1.0579 3 448 93.45

1.0531 2 844 94.01

1.0194 2 2-0 -10 98. 16

1.0161 3 628 98. 59

1.0135 3 826 98.92

1.0107 4 862 99.30

0.9478 2 4- 2- 10 108. 70

43
Rubidium Manganese Trifluoride, RbMnF ^ (cubic)

Powder Diffraction File cards. None.

Additional published patterns. None.

NBS sample. The sample of rubidium manganese trifluoride was prepared at NBS by D. E.

Roberts by heating rubidium fluoride and manganese difluoride to 1100°C.

Spectrographic analysis showed the following

major impurities: <0.5 percent each of aluminum

and silicon; 0.01 to 0.1 percent each of calcium,

cesium, potassium, strontium, and vanadium.

The color of the sample was pale pink. The

index of refraction is 1.483.

I/I = 3.4.

Structural data. Simanov, Batsanova, and Kovba

(1957) determined that rubidium manganese trifluoride has the perovskite structure, the space

group Oi-Pm3m (No. 221) and l(RbMnF3 ) per unit

cell.

Lattice constants

a(A)

Simanova, Batsanova, and Kovba

(1957) 4.243

Hoppe, Liebe, and Dahne (1961) 4.25

NBS, sample at 25"C 4.2400

The density of rubidium manganese trifluoride

calculated from the NBS lattice constant is 4.300

g/cm^ at 25°C.

Internal standard W, a = 3.16504 A

CuKai \ = 1.5405 A; temp. 25 °C

d(A) / hkl 20(°)

4. 235 2 100 20.96

2.998 100 110 29.78

2.447 20 111 36.70

50 200 ft/ . DJ 1. 895 2 zxu 47.97

1. 731 32 211 52.85

1.499 21 220 61.85

1.413 2 300 66.05

xy 310

1.278 9 J"ill -L -i- 74.11

1. 2239 6 222 78. 00

1. 1759 2 320 81. 84

1 .1331 24 321 85 . 65

1 . 0599 A 400 93 .22

1.0284 3 410 97.00

0 . 9993 7 411 100 . 85

.9726 4 331 104.73

.9481 17 420 108.67

.9252 3 421 112.72

.9040 4 332 116.86

.8655 6 422 125.74

.8315 14 510 135.74

.8160 2 511 141.44

References

Hoppe, R., Liebe, W., and Dahne, W. (1961). Uber Fluoromanganate der Alkalimetalle, Z. anorg. u allgem Chem.

307, 276-289.

Simanov, Yu. P., Batsanova, L. P., and Kovba, L. M. (1957).

X ray investigation of the binary fluorides of bivalent manganese, Russ. J. Inorg. Chem. 2, 207. (Translated

from Zh. Neorgan. Khim. II, No. 10, 2410-2415.)

44
Rubidium Nitrate, RbNOs (trigonal)

Powder Diffraction File cards. No. 14-38, Brown

and McLaren (1962). Nos, 14-34 (cubic), 14-36

(cubic), and 14-37 (tetragonal) are for other forms

of rubidium nitrate.

Additional published patterns. None.

NBS sample. The sample of rubidium nitrate

was obtained from A.D. Mackay, Inc., New York,

N.Y. The sample was recrystallized from aqueous

solution at room temperature.

Spectrographic analysis showed the following

major impurities: 0.1 to 1.0 percent each of potassium and sodium; 0.01 to 0.1 percent each of

cesium and silicon.

The sample was colorless and optically positive

with indices of refraction Ne = 1.526 and No = 1.524.

A very slight 2V was noted.

Structural data. Pauling and Sherman (1933)

proposed trigonal symmetry for rubidium nitrate,

the probable space group Civ-P31m (No. 157) and

9(RbN03) per unit cell. Brown and McLaren (1962)

reported that the space group was either Di-PSjli

or Dt-P32l2.

Lattice constants

a(A) C(A)

Pauling and Sherman (1933) 10.47 7.39

Brown and McLaren (1962) 10.48 7.45

NBS, sample at 2 5°C 10.479 7.452

The density of rubidium nitrate calculated from

the NBS lattice constants is 3.109 g/cm^ at 25°C.

References

Brown, R. N., and McLaren, A.C. (1962). The thermal trans- formation on solid rubidium nitrate. Acta Cryst. 15, 974-976.

Pauling, L., and Sherman, J. (1933). Note on the crystal structure of rubidium nitrate, Z. Krist. 84, 213-216.

o Internal standard Ag, a = 4.08625 A

CuKai ^= 1.5405 A; temp. 25 °C

d fA) / hkl

5 . 244 <1 110 16. 89

4 . 285 111 20.71

3 . 877 201 22.92

3 .445 2 102 25.84

3.116 1 211 28.62

3 .032 112 29 . 43

3 .023 J_ w u 300 29.52

2 . 879 J 202 31.04

2 .801 1 301 31.92

2.620 1 220 34. 19

2.522 212, 310 35.57

2 .484 13 003 36. 13

2.471 23 221 36. 33

2.385 2 311 37.69

2 .349 2 302 38. 28

2 . 245 1 113 40 . 13

2 . 178 XI 203 41.42

2 . 171 o 401 41 . 56

2.142 19 222 42.14

2 .086 1 312 43 .34

2 . 013 X 213 44 . 99

2 .007 1X 321 45 . 14

1 . 919 303 47.33

1.914 16 411 47 .47

1.825 1 105 49. 92

1.817 X 3 22 50 . 16

1 . 755 c 114 52 .06

1 . 749 412 52.27

1.7 24 <1 204 53 .09

1.715 1 420 53 .38

1 .674 X 403 54 . 79

1. 672 1X 421 54 . 88

1. 63 6 X 214 56 . 17

1.631 1 502, 510 56.36

1.596 1 323 57 . 69

1.518 3 224 60 . 97

1.513 4 600 61.22

1.498 1 314 61.91

1.494 1 431 63 .51

1.434 3 115 65.00
Rubidium Nitrate, RbNOg (trigonal)—continued

o Internal standard Ag, a = 4,08625 A

CuKai ^ = 1.5405 A; temp. 25 °C

o d(A) I 2d(°)

1.428 333 65. 27

1.426

> 7

J 521 65.37

1.416 1 205 65.88

J- . *Y -L 1^ 1X 423 65 . 11

1.3677 1 215 68.55

1.3570 5 414 69.17

1.3540 8 522 69.34

1.2955 2 225 72 .96

-1- 1 • £^z/i-Zf 9Q1 Q 603 73.20

1. 2770 1 701 74. 19

1X 424 75.25

1.2356 1 442 77 . 13

1,1983 1 206 80.00

1. 1909 1 415 80.60

1, 1869 1 711 80.93

X . X O / D

TX 216 82 . 55

1. 1649 1 434 82 . 79

1.1491 2 703, 306 84. 18

1.1452 1 4

524 84.53

1.1436 J 712 84.68

1.1226 1 623, 226 86.65

1. 1141 1 316 87 .48

1. 1113 1 614 87.75

1 .0716 1 444 91.91

46
Samarium Vanadate, SmV04 (tetragonal)

Powder Diffraction File cards. None.

Additional published pattern. Milligan, Watt,

and Rachford (1949).

NBS sample. The sample of samarium vanadate

was prepared at NBS. A mixture of samarium

oxalate and vanadium pentoxide was heated at 850 °C for 45 minutes.

Spectrographic analysis showed the following major impurities: 0.001 to 0.01 percent each of aluminum, iron, magnesium, antimony, and silicon.

The color of the sample was strong yellow brown.

The indices of refraction could not be determined

because the sample was too fine-grained.

, = 2.2, corundum

Structural data. Milligan, Watt, and Rachford

(1949) determined that samarium vanadate has the

zircon structure with the space group Djh -I4j/amd

(No. 141) and 4 (SmV04) per unit cell.

Lattice constants

a(A) C(A)

Milligan, Watt, and

Rachford (1949) 7.22 6.35

NBS, sample at 25 °C 7.2652 6.3894

The density of samarium vanadate calculated

from the NBS lattice constants is 5,225 g/cm' at 25 °C.

Reference

Milligan, W. O., Watt, L. M. and Rachford, H. H., Jr. (1949).

X-ray & diffraction studies of heavy metal orthovanadates, J. Phys. & Colloid Chem. 53, 227-234.

o internal standard W, a = 3.16504 A

CuKai \ = 1.5405 A; temp. 25 C

d(A) / hkl 2d(°)

A Q ,0 O

J 1 1 J ± 18.45

J . D J J ±U J o ri A 24 . 48

2.895 14 211 30.86

2.712 76 112 33 .00

2.569 20 220 J ft . o

O O Q Q

5 2 0 2 37.45

15 J Jl 39.76

2 . 3438 9 103 44 . 28

1. 9220 12 321 47 . 25

1.8653 56 312

1 . oiol 15 400 50, 19

± . / OlU 6 z 13 51.25

1. 6989 411 53 . 92

1. 6244 11 420 55. 61

1.5976 6 004

1 R Q £^ ± . D J y o 14 "3 O O J JZ 61,35

1 /I 0 T iU o o /l Z J4 63 . 57

1.4171 4 501 55 . 85

1.3564 10 224 59. 20

1.3011 11 512 7 9

1 0 1 O "7 ± • ^ X J / A4 79.32

1 1 Q Q t:^ 6 79 . 89

1. 1892 6 215 80 , 75

1.1607 7 532 83 , 15

1.1487 5 620 P.A O'^ . z9 z9

1 1 "3 Q Q LL 4Z4 85 . 11

1 '^1 "7 Q "3 1o o c J Z D 91.37

1.0425 7 116 95 . 27

1.0343 3 415 96. 27

1.0074 3 640 99 . 74

0 . 9780 D 712 lU J . 3 Z QO J J- u lU D . / D

. 9650 6 633, 604 lu D . y 1 .9327 6 624, 703 111 111 O /I . Z4

,9141 5 732 114. 83

. 9040 4 723 , 336 116. 88

.8809 4 820 121, 94

.8787 4 217 122.46

, 8528 10 516, 653 129. 17

. 816o 4 752 141. 22

.8123 8 840 142.96

. 8095 10 53o 144. 16

I/I
Silver Antimony Sxilfide, AgSbSj (cubic)

Powder Diffraction File cards. None.

Additional published patterns. None.

NBS sample. The sample of cubic silver antimony sulfide was prepared at NBS by heating

miargyrite, AgSbSj, in a closed tube at 600 °C.

Spectrographic analysis showed the following

major impurities: 0.1 to 1.0 percent silicon, and

0.01 to 0.1 percent each of aluminum, arsenic,

bismuth, calcium, iron, germanium, magnesium,

manganese, nickel, lead, and tungsten.

The sample was an opaque metallic gray powder.

I/I CO rundu 3.5.

Structural data. Geller and Wernick (1959) re- ported that high temperature silver antimony sulfide has the sodium chloride structure, the space

group Oh-Fm3m (No. 225) and 2(AgSbS2) per unit

cell. Silver antimony sulfide also occurs as a natural mineral miargyrite which is monoclinic if formed below melting temperature of 450 °C.

Lattice constants

a(A)

Graham (1951) 5.653

Geller and Wernick (1959),

sample at 25"C 5.647

NBS, sample at 25"C 5. 652

The density of cubic silver antimony sulfide

calculated from the NBS lattice constant is 5,403

g/cm^ at 25°C.

o Internal standard Ag, a = 4.08625 A

CuKai ^= 1.5405 A; temp. 25 °C

d(A) / hkl 29(0)

3 . 263 63 111 O "7 2.826 100 200 31 . bj

J- . 7

220 45.35

1.7039 21 311 53.75

1.6316 15 222 56.34

1 .4131 7 400 DD » U D

1. 2966 5 331

1 . 2635 7 420 75.12

1.1537 3 422 83.77

1.0877 3 511 90.17

0.9991 5 440 100.87

.9553 2 531 1U7 .47

.9420 2 600 109.70

.8936 1 620 119.08

.8619 1 533 126.67

.8520 1 622 129.39

.8156 <1 444 141.60

.7913 2 711 153.53

References

Geller, S. and Wernick, J. H. (1951). Ternary semiconducting

compounds with sodium chloride-like structure: AgSbSej,

AgSbTe2, AgBiS2, AgBiSej, Acta Cryst. 12, 46-54. Graham, A. R. (1959). Matildlte, aramayoite, miargyrite. Am.

Mineralogist 36, 436-449.

48
Silver Antimony Sulfide (miargyrite) AgSbSj (monoclinic)

Powder Diffraction File cards. No. 4-0675,

Graham (1951).

Additional published patterns. Hofmann (1938).

NBS sample. The sample of miargyrite was

obtained from Tem-pres Research Inc., State College, Pa.

Spectrographic analysis showed the following

major impurities: 0.1 to 1.0 percent silicon, and

0.01 to 0.1 percent each of aluminum, arsenic,

bismuth, calcium, iron, germanium, magnesium,

manganese, nickel, lead, and tungsten.

The color of the sample was blackish red. The

indices of refraction are very high and the sample

was very fine-grained.

I/I corundum = 2.0.

Structural data. Hofmann (1938) determined that

miargyrite has the space group Cl^-K2/a (No. 15)

and 8(AgSbS2) per unit cell. An irreversible cubic

form is obtained at the melting point.

Lattice constants

Hofmann

(1938)

NBS,

sample at 25°C

a(A) b(A} C(A)

13.20

13.224

4.40

4.410

12.86

12.881

98.06°

98.48°

The density of miargyrite calculated from the

NBS lattice constants is 5.252 g/cm' at 25 °C.

References

Graham, A. R. (1951). Matildite, aramayoite, miargyrite.

Am. Mineralogist 36, 436-449.

Hofmann, W. (1938). Die Struktur von Miargyrit, AgSbSj, Sitz- ber. preuss. Akad Wiss. Physik. Math. Kl. Berlin 7, 111-119.

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 °C

d(A) / hkl 26C^)

4 . 259 4 20 . 84

3 .440 81 25 . 88

3 . 186 004 27 . 98

3.101 30 402 28.76

3.051 14 113 29.25

2 . 892 100 213 30 . 89

2 . 748 70 402 32 . 55

2 639 ao 313 33 94

2.265 <1 511 39.76

2.206 9 020 40.88

2 . 174 7 120 41 . 51

2 . 131 2 IXD TIC 42 . 37

2.043 122 44. 30

2.013 38 222,215 44.99

1.971 27 611 46.00

1 . 914 22 4UD A^ AC 47 .45

1 . 875 5 AO CI 4o. 51

1.871 4 613 48. 62

1.846 2 322 49.32

1.813 18 024 50.29

1. 797 20 50. 77

1 . 737 4 / XX 52 . 66

1. 720 Q 422 53 . 20

1.699 1 Il7 53.93

1.693 12 613 54.14

1 C CSC 1 . 686 14 con o 1

"7 C A O O

1. 572 7

yl n £. C A QCS 54 . 88

1. 660 8 615 55.30

1.635 5 800 56.22

1.593 10 522,008 57.84

Q BOA 650

802 fin iiR 1.5256 <1 226,715 60.65

1.4938 2 326 62.08

1.4455 4 426 64.40

1 .4200 cD 231 , 506 DO m /u

1 . 3990 1 806 DO . oX

X.JO/

OwO 67 .45

1.3860 2 526 67.52

1.3747 6 804 68.15

1.3321 6 426 70.65

1.3135 5 820 71.81

1.2850 5 219 73.65

1.2731 <1 519 74.46

1.2683 4 824 74.79

49
Silver Antimony Sulfide (miargyrite) AgSbSg (monoclinic)— continued

o Internal standard W, a = 3.16504 A

CuK

o ai /V = 1.5405 A; temp. 25 °C

o d(A) /

1.2583 X 135 75.49

1.2520 /-D 533, fO • 1- 3 75.93

1.2314 5 XV.' X X 77.44

1.2261 5 619 77.84

J- • XoJ J 1 924

1. 1734 X 717 82 .05

1.1663 2 824 82.66

1.1462 3 U J J 84.44

1 . 1446 3 237 84.59

J. • ox 1 635 Rt^ T 7

1.1316 4* 0- 10, 2 1 11 85.79

1. 1084 Z 10 • 1 • 7 88.04

1 , 1016 1 12 • 0 2 88. 73

1.0894 2 733 89.99

X1 . nR77 L/ o / / 3 l-2-10,5-l-ll Qf) 17

1 .0784 2 • X • ii 91. 16

1 .0777 z 828 91. 24

1.0669 2 10 . 1 . 5 12 • 1 •92 .43

1.0648 <1 808 92 . 67

X . L/ U X <1 826,0-0.12 ^ J • (-I 1.0491 X 437, 3 • 1' 11,

94.48

1.0466 1 10 • 0' 6, 11* 2'0 94. 77

1.0421 2 R'^ R T44 15.1.1 95.32

1.0392 2 6' 2 -10 95. 67

X1 n RU ODD 1 6'0'10 70 . xz 1.0239 ^ X 97.57

1.0135 0 D J / 98.92

1.0077 2 7* 2' 10 99.71

0.9917 <1 239 101.91

. yoo3 1 12 • 2 • 2 iU2 . ol

.9801 ^ X D • X • XX 103.60

.9762 £. ±U • 0 • 0 , po / 104.19

.9748 <. X oxy 104.40

.9708 1 12 -2 -4, 146 105.02

.9661 <1 10 • 3 • 1, 13 • 0'

105.74

. 9637 1 3-l-13,639 106. 11

.9590 1 828 106.86

.9570 2 8'0-12 107.20

.9475 <1 10'3'5,12'2'2 108.76

.9452 <1 10'2-6,439 109.16

.9435 2 5-l'13,6'l'll 109.45

50
Silver Antimony Sulfide (pyrargyrite) AggSbSgCtrigonal)

Powder Diffraction File cards. No. 14-280,

Toulmin (1963).

Additional published patterns. None.

NBS sample. The sample of pyrargyrite was

obtained from Tem-pres Research Inc., State College, Pa. It was annealed at 350 °C over night in

order to sharpen the diffraction pattern,

Spectrographic analysis showed the following major impurities: 0.01 to 0.1 percent each of aluminum, arsenic, iron, germanium, molybdenum, lead,

silicon, strontium, and tungsten.

The color of the sample was gray reddish brown.

The indices of refraction are very high and the

sample was very fine-grained.

I/I , = 1.1.

' corundum

Structural data. Grossner and Mussgnug (1928)

determined that pyrargyrite is isostructural with

proustite with the space group Cfv-R3c (No. 161),

and 6(Ag3SbS3) per unit cell.

The unit cell measurements reported by Grossner and Mussgnug were converted from rhombohedral kX units to hexagonal angstrom units.

Lattice constants

a(A) C(A)

Grossner and Mussgnug

(1928) 11.14 8.79

Hocart (193 7) 11.05 8.74

Toulmin (1963) 11.052 8.7177

NBS, sample at 25 °C 11.047 8.719

The density of pyrargyrite calculated from the

NBS lattice constants is 5,855 g/cm^ at 25 °C.

References

Grossner, B. and Mussgnug, F, (1928). Original-Mitteilungen

an die Redaktion. Uber die Kristallstruktur von Pyrargyrit, Gentr. Mineral., Gaol. 65-73. Hocart, R. (1937). Schema structurale de la proustite et de

la pyrargyrite, Compt. rend. 205, 68-70. Toulmin, P., 3rd. (1963). Proustite-pyrargyrite solid solutions. Am. Mineralogist 48, Nos. 7 & 8, 725-736.

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 °C

d(A) / hkl 26(°)

3.962 15 012 22.42

3.338 53 211 26. 68

3.220 67 202 27.68

3.185 57 300 27.99

2.780 100 122 32.17

2. 761 9 220 32.40

2.571 60 113 34 . 86

2.538 60 131 35.34

2.267 19 312 39.73

2. 128 20 321 42.43

2.096 7 042 43.11

2.088 10 410 43.30

2.002 3 223 45.26

1.983 5 024 45.72

1.961 29 232 46.26

1.867 22 214 48. 73

1.842 8 330 49.44

1.771 8 241 51.56

1.7521 16 502 52.16

1.6957 8 413 54.03

1.6842 19 134 54.43

1.6703 14 422 54.92

1.6111 9 404 57.12

1.5983

111

152 57.62

1.5943 J 600 57.78

1.5703 4 125 58. 75

1. 5553 3 333 59. 37

1.5480 4 431 59.68

1.5322 10 520 60.36

1.4796 2 342 62.74

1.4576 315 63.80

1.4535 I ^

J 006 64 . 00

1.4389 2 161 64.73

1.4052 5 116 66.48

1.3915 8 244 67.22

1.3835 4 612 67.66

1.3654 2 235 68.68

1.3554 5 523 69.26

1.3495 6 514 69.61

1.3225 1 306 71.24

1.3114 1 621 71.94

1.3040 1 532 72.41

1.2861 3 226 73.58

1.2752 1 434 74.32

1.2693 <1 262 74.72

51
Silver Antimony Sulfide (pyrargyrite) AgoSbS, trigonal— continued

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25

d(A) I hkl 20(°)

1. 2672 o 74 . 87

1.2551 <1 75 . 71

1.2128 4 164 78. 88

1.2053 <1 630,027 79.43

1.1926 4 416 80.46

1 179^ A HD ^ 81 . 56

82.50

1.1614 2 713 83.09

1.1580 4 271,704 83 . 39

1.1533 1 802 83 . 81

1 . 1406 3 J J ftD 84 . 95

1.1334 5 85 . 62

1.1275 1 137 86. 18

1.1046 2 550,407 88.42

1.0849 1 182 90.47

1.0831 2 J ^ / , u x u 90 . DD

1 .0758 1 J J J 91 .45

1.0742 2 606 91 . 62

1.0681 3 731,544 92 . 30

1.0633 1 900 92.83

1 . 0451 0£• ^79 94. 96

1.0439 1 890 057 95 . 10

1.0302 1 274 96.77

X • UUOO <x 99. 5 5

0.9962 2 191 101.28

.9764 3 437 104.16

.9652 1 381,734 105.88

.9552 4 716 107.48

.9485 1 832 108.60

.9474 1 167 108.77

52
Silver Subfluoride, Ag F (hexagonal)

Powder Diffraction File cards. Nq 3-0707, Terrey and Diamond (1928),

Additional published patterns. NonCo

NBS sample. The sample of silver subfluoride

was supplied by L. D. Calvert of the Division of

Applied Chemistry, National Research Council,

Canada. It was prepared in that Division by P.

Tymchuk by reacting pure silver with hydrogen

fluoride and 30% hydrogen peroxide. A uniform

precipitate was obtained when the sample was

washed with alcohol and ether.

Spectrographic analysis showed the following

major impurities: 0.001 to 0.01 percent each of

aluminum, copper, iron, magnesium, silicon, and

tin.The sample has a metallic luster and it was a

light olive opaque powder.

I/l , = 3.2.

corundum

Structural data. Ott and Seyfarth (1928) determined that silver subfluoride has the cadmium

iodide structure, the space group Dsd-PSml (No.

164) and l(Ag2F) per unit cell.

Lattice constants

a(A) C(A)

Terrey and Diamond (1928) 2.995 5.722

Ott and Seyfarth (1928) 3.0 5.75

NBS, sample at 25°C 3.0016 5.7014

The density of silver subfluoride calculated from

the NBS lattice constants is 8.762 g/cm^ at 25 °C.

References

Ott, H. and Seyfarth, H. (1928). Die Struktur des Silber subfluoride, Z. Krist. 67, 430-433.

Terrey, H. and Diamond, H. (1928). The crystal structure of silver subfluoride, J. Chem. Soc. (London), 2820-2824.

Internal standard W, a = 3.16504 A

CuKai \ = 1.5405 A; temp. 25 °C

o d (A) / hkl 20(o)

5 . 701 16 001 15.53

2.849 28 002 31.37

2.600 16 100 34.47

2 . 365 100 101 38 . 01

1.921 27 102 47,27

1.9000 16 003 47 .83

1.5340 8 103 60. 28

1.5010 11 110 61.75

1.4515 4 111 54 . 10

1.4248 4 004 65.45

1.3280 5 112 70 . 90

1. 2999 2 200 72 . 67

1. 2673 7 201 74.86

1 . 2499 8 104 76.09

1.1825 4 202 81. 29

1.1777 6 113 81.69

1.1403 2 005 84.98

1.0729 1 203 91.77

1 . 0444 4 105 95 . 04

1.0334 2 114 96.38

0.9824 2 210 103 . 26

.9682 5 211 105.41

. 9605 3 204 106.63

. 9502 1 006 108 . 31

.9290 2 212 112.02

.9080 4 115 116.05

.8926 4 106 • 119.30

.8727 1 213 123.91

.8665 2 300 125.47

. 8572 1 205, 301 127.94

.8289 2 302 136.62

.8148 3 007 141.92

.8089 2 214 144.42

.8029 1 116 147. 21

.7884 1 303

L 155.38

53
Sodium Hexametaphosphate

Powder Diffraction File cards. None,

Additional published patterns. None.

NBS sample. The sample of sodium hexametaphosphate hexahydrate was prepared by E. J. Griffith (1965) of the Inorganic Chemicals Division,

Monsanto Co., St. Louis, Mo.

Spectrographic analysis showed the following

major impurities: 0.001 to 0.1 percent each of

aluminum and silicon.

The sample is colorless and optically positive.

The indices of refraction are = 1.458 ± .001,

N/3 = 1.453 ± .001, and N^ = 1.459 ± .001. 2V is

large.

, = 0.8. corundum

Structural data. Jost (1965) determined that so- dium hexametaphosphate hexahydrate has the space

group DL'-Ccmb (No. 64) or C^', -Cc2b (No. 41)

and 4(NagPgOi8 •6H2O) per unit cell.

Lattice constants

Jost (1965)

NBS, sample at

25"C

a(A) b(A) C(A)

11.58

11.547

18.54

18.492

10.48

10.495

The density of sodium hexametaphosphate hexahydrate calculated from the NBS lattice constants

is 2,134 g/cm^ at 25 °C.

References

Griffth, E, J. and Buxton, R. L. (1965). The preparation and

properties of the twelve-membered ring hexametaphosphate anion, Inorg. Chem. 4, 549.

Jost, K-H. (1965). Die Struktur des Natrium-hexametaphosphates Nag(P^Oig).6H20. Acta Cryst. 19, 555-560.

;e, NagPgOjg-GHjO (orthorhombic)

0 Internal standard Ag, a = 4.08625 A

CuKai 1.5405 A; temp. 25 °C

d (A) I hkl 29(°)

9.24 18 020 9.56

7. 17 100 111 12.34

5 . 245 A 9 nnu u 9z 16. 89

5.058 11 201 17.52

4.900 76 220 18.09

4 . 831 ft / J- J JL 18.35

4 . 626 119 HAH 19.17

4.567 0<J ^9 9^ 19.42

3.885 3 202 22. 87

3.776 3 132 23.54

3 . 583 00 999 24.83

3 . 546 9 R .JTilX X 25.09

3 .467 25.67

3.338 15 151 26. 68

3 . 292 73 113 27.06

3 . 117 J -> X 28. 61

3 . 083 X1 ^D \j 0 28. 94

3 .060 .J xz1 9 29.16

2.974 11 242 30 . 02

2.942 15 133 30.3 6

2.926 X 0 1 S9 30.53

2 . 888 0 400 30 . 94

2 . 783 A '± i-/ X 32.14

2.755 6 420 32.47

2. 719 18 260 32 . 91

2 . 664 X ^ A9^ z X1 33.61

2 . 63 2 x** 1 A 9fil 34.04

2. 623 e,0 004 34.15

2.584 26 351 34.68

2.529 5 402 35.46

2.482 <2 153 36.16

2.440 5 422 3 6 . oi

2.414 18 262 31 . 2.1. 2.386 27 441,333 31 .^1

2.312 15 224, 172, 080 38.92

^? a ? 0^ R0 4 O X X 40.26

7 9 97 J Am 40.47

^ . X D cD 41. 70

2.147 14 263 42 . 05

2.121 11 353 42 . 59

2 . 104 X 0 X _J*-r 42. 94

2 .073 -7/ X / 0 43 . 53

2.067 c0 D X 43 . 76

2.012 c0 T7 9 45 .02

2.006 6 443 45 . 15

1.972 2 205 45.98

1.955 4 462 46.41

1.925 4 551, 600 47.17

1.917 2 513 47.38

1.893 11 601 48.02

I/I

54
Sodium Hexametaphosphate Hexahydrate, NagP^Oj 8-6H20 (orthorhombic)—continued

o Internal standard Ag, a = 4.08625 A

CuKcii ^ = 1.5405 A; temp. 25 °C

d(A) / hkl 20(^)

1.888 9 254, 192 48.15,

1. 871 5 354 48.63

l.SSO 4 J-IO. 0,373 4::^.22

1.83 5 3 552 49, 64

1.829 2 283 49.81

1. 806 4 602, 463 50. 5J

1. 765 2 335 51. 74

1. 748 4 005 52.28

1. 734 <2 084 52.74

1. 726 3 514 53.02

1. 715 4 571 53.38

1. 707 3 482 53.66

1. 686 3 603 54.36

1.669 2 425,2-10-2,534 54.97

1. 561 2 265, 284 55.24

1.649 4 355 55.71

1.63 2 <2 650 56.31

1.513 <2 561 57.05

1.509 <2 393 57. 2 J 1. 601 <2 194 57. 50

1. 587 <2 315, 1-11-2 58.08

1. 567 4 712,156 58.87

1. 5568 3 4-10-0, 573 59.31

1.5520 4 604 59.51

1.5475 4 515 59. 70

1.5414 4 336, 0-12-0 59. 95

1. 5192 2 591 50.93

1. 5109 3 0-10-4,375 51.30

1.5065 4 750, 535 61.50

1. 5025 4 1. 11.3 61.58

1.4859 <2 465, 713,484 62.40

1 . 4794 3 553, 680, 027 52.75

1 . 4744 3 2-12-1 62.99

1.4706 <2 265, 644 63.17

1.4560 2 195 63 . 88

1 . 4330 <2 227, 2* 12-

65.03

1 . 4256 <2 820 65.41

1.4234 <2 682, 445 65.52

1.4131 <2 821 56.05

1.4058 <2 593 56.45

1 . 4024 <2 525 66.63

1. 3944 2 085 57.05

1 .3919 2 802 67.20

1.3837 2 753 57. 55

1.3799 <2 157 67.86

1.3760 <2 822 58.08

1.3551 <2 545, 285 59.22

1.3483 <2 4-12-1, 5-11.1 69.68

1.3303 3 407 70.75

1.3238 <2 3-13-1 71.15

55
Terbium Vanadate, TbV04 (tetragonal)

Powder Diffraction File cards. None.

Additional published patterns. None.

NBS sample. The sample of terbium vanadate

was prepared at NBS. A mixture of terbium oxalate and vanadium pentoxide was heated 1 hr. at 1400°C.

Spectrographic analysis showed the following

major impurities: 0.01 to 0.1 percent silicon, and

0.001 to 0.01 percent each of aluminum, iron, and

lead.

The color of the sample was gray yellow. The

indices of refraction could not be determined be- cause the sample was to fine-grained.

I/I ndum 2.6.

£)19

Structural data. Milligan, Watt, and Rachford

(1949) determined that terbium vanadate is isostructural with zircon with the space group

'4h- I4j/amd (No. 141) and 4(TbV0J per unit cell.

Lattice constants

a(A) C(A)

Milligan and Vernon

(1952) 7.15 6.31

NBS, sample at 25 "C 7.1772 6.3289

The density of terbium vanadate calculated from

the NBS lattice constants is 5.579 g/cm^ at 25°C.

References

Milligan, W. O., and Vernon, L. W. (1952). Crystal structure

of heavy metal orthovanadates, J. Phys. Chem. 56, 145. Milligan, W. O., Watt, L. M., and Rachford, H. H., Jr. (1949).

X-ray diffraction studies on heavy metal orthovanadates,

J. Phys. and Colloid Chem. 53 , 227-234.

Internal standard W, a = 3.16504 A

CuKai \ = 1.5405 A; temp. 25 °C

d(A) / hkl 26(°)

A 7 R XU1 mX 18 . 66

J • .J o / OA 80

2.862 12 211 31.22

2.684 76 112 33.35

2.537 22 220 35.35

AH 37 . 87

J. / O U J. 40 . 25

2.024 11 103 44.13

1.899 11 321 47.86

1.844 60 312 49.38

xo Ann 50 . 85

D Z91X J7 51. 81

1.679 5 411 54.61

1.606 12 420 57.34

1.5823 7 303,004 58.26

J- . *± 3 X*T Xo O J Z 62 . 19

1 AATl O t ZU*t 64 . 32

1.3996 6 501 66.78

1.3422 11 413, 224 70.04

1.2858 10 512 73.60

A

ft 74 .77

-1- • -L ^ \J \y AH Ann 80 . 19

1.1862 8 404,503 80.98

1.1770 3 215 81.75

1.1597 2 611 83.24

1 1 Ain OQ 84. 37

X . XO*i J

C A9n OZ V 85 . 52

1. 1262 10 424, 523 86.30

1.1034 2 541 88.54

1.0681 4 325,622 92.30

5 lib ^ \j t J -J

1 r\ Q c 4/IT O bl3

1.0234 2 415 97.64

0.9956 4 640 101.36

.9898 4 543,444 102.19

. 9666 QO

"7/ 110Z

the; c;'7 XU D m 0 /

. 9562 /I *i Jib XU / • J z .9540 6 633 , 604 107.69

.9220 6 703, 624 113.31

. 9031 5 7 "5 9 T 1 7 OR

.8971 3 800, 107 118.31

.8948 4 336 118.81

.8702 4 . 820 ,'217 124.54

.8438 6 516 131.81

.8067 6 752 145.43

.8007 6 536 148.31

56
Thulium Vanadate, TmV04 (tetragonal)

Powder Diffraction File cards. None.

Additional published patterns,

and Rachford (1949).

Milligan, Watt,

NBS sample. The sample of thulium vanadate

was prepared at NBS. A mixture of thulium oxalate and vanadium pentoxide was heated at 1400°C

for 1 hr.

Spectrographic analysis showed the following

major impurities: 0,01 to 0.1 percent each of

aluminum and silicon, and 0.001 to 0.01 percent

magnesium.

The color of the sample was dark gray yellow.

The indices of refraction could not be determined

because the sample was too fine-grained.

I/I corundum = 3.6.

Structural data, Milligan, Watt, and Rachford

(1949) determined that thulium vanadate has the

zircon structure with the space group D -I4j/amd

(No. 141) and 4(TmV04) per unit cell.

Lattice constants

a(A) C(A)

Milligan, Watt, and

Rachford (1949) 7.00 6,21

NBS, sample at 25 °C 7.0712 6.2606

The density of thulium vanadate calculated from

the NBS lattice constants is 6.023 g/cm^ at 25 °C.

Reference

Milligan, W. O., Watt, L. M., and Rachford, H, H,, Jr. (1949).

X-ray diffraction studies of heavy metal orthovanadates,

J, Phys. and Colloid Chem. 53, 227-234.

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 °C

d (A) / hkl

4.686 33 101 18.92

3.535 100 200 25.17

2.824 12 211 31.66

2.654 68 112 33.74

2. 500 19 220 3 5.89

2.344 3 202 38.36

2.2061 16 301 40.87

2.3014 2 103 45.27

1.8714 11 321 48.61

1.8192 52 312 50. 10

1.7678 22 400 51.66

1. 7421 5 213 52.48

1.6543 3 411 55. 50

1.5816 10 420 58.29

1.5652 5 004 58.96

1.5626 4 303 59.37

1.4710 12 332 63.15

1.4310 10 204 65. 13

1.3790 4 501 67.91

1.3261 8 224 71.02

1.2850 <1 521 73 . 65

1.2678 10 512 74.83

1.2498 4 443 76.39

1.1784 4 600 81.63

1.1716 5 404 82.21

1. 1643 2 215 82.84

1.1428 2 611 84.75

1.1306 6 532 85.89

1. 1181 4 620 87.08

1.1121 8 424 87.67

1.0550 2 325 93.79

1.0392 2 631 95.67

1.0214 3 116 97.89

1.0156 2 613 98.65

0.9805 4 640 103.54

.9765 4 444,543 104. 15

.9524 8 712 107.95

.9454 6 316 109.13

.9412 4 604, 633 109.84

.9097 5 624, 703 115.72

.9063 4 525 116.39

.8901 4 732 119.85

.8841 3 336, 800 121.20

.8685 2 811 124.96

.8606 2 217 127.03

.8574 3 820 127.88

.8337 8 660, 516 135.30

.8309 6 644 135.94

. 8307 4 653 136.00

.8084 1 813 144.65

.7949 4 752 151.38

. 7908 4 536, 840 153.82

57
Ytterbium Vanadate, YbV04 (tetragonal)

Powder Diffraction File cards. None.

Additional published patterns. Milligan, Watt,

and Rachford (1949).

NBS sample. The sample of ytterbium vanadate

was prepared at NBS. A mixture of ytterbium

oxalate and vanadium pentoxide was heated at 1400°C for 1 hr.

Spectrographic analysis showed the following

major impurities: 0.01 to 0.1 percent each of

aluminum and silicon, and 0.001 to 0.01 percent

each of calcium, iron, and magnesium.

The color of the sample was dark gray yellow.

The indices of refraction could not be determined

because the sample was too fine-grained.

. = 3.7.

corundum

Structural data. Milligan, Watt, and Rachford

(1949) determined that ytterbium vanadate is isostructural with zircon with the space group

Dll -14i/amd (No. 141) and 4(YbV04) per unit cell.

Lattice constants

a(A) c(A)

Milligan, Watt, and

Rachford (1949) 7.02 6.23

NBS, sample at 25 "C 7.0435 6.2470

The density of ytterbium vanadate calculated

from the NBS lattice constants is 6.172 g/cm' at 25°C.

Reference

Milligan, W. O., Watt, L. M., and RacMord, H. H., Jr. (1949). X-ray diffraction studies of heavy metal orthovanadates,

J. Phys. and Colloid Cham. 53, 227-234.

o Internal standard W, a = 3.16504 A

CuKaj K = 1.5405 A; temp. 25 °C

d(A) hkl 20(0)

4. 674 101 lb. ^j7

3.523 lOD 200 25. 2o

2.813 15 211 31.78

2 . 54 6 77 112 33.85

2.491 25 220 3 6.03

2,337 4 202 38.47

2. 1979 20 301 41.03

1. 9972 12 103 45.37

1. 8649 16 321 48. 79

1.8137 61 312 50.26

continued

o d (A) / hkl 2e(°)

1 .7509 18 400 51. 88

1. 7372 6 213 52 . 54

1. 5477 6 411 5 5. 74

1.5752 13 420 58.55

6

1. 5575 7 303 59.28

1.4552 16 332 63 .38

1.4273 12 204 65.32

1.3739 6 501 68.23

1 Q O 0 "7 J- • J / Z / 10 o 0 / / J- . Z J 1.3203 4 413 71.38

1. 2800 2 521 73.99

1. 2532 11 512 75 . 15

1. 2450 3 440 76.44

X . X / J O 4 ouu OZ a

1. 1681 6 404 82 . 51

1 . 1612 3 215 83 . 11

1. 1385 2 511 85.15

1. 1255 10 532 86. 28

X • X X J D 5

1. 1088 11 424 88.00

1.0834 I 541 90 . 53

1. 0524 2 325 94 . 09

1. 0354 2 531 95. 13

X • J JL^ J- 4 Xlift X o 98 . 19

1 . 0120 2 513 99. 13

1 . 0085 1 415 99.59

0 . 9932 1 701 101.70

. 9757 4 640 104.12

• -? / J u AAA 444 iU4 .DO

. 9550 1 721 107.35

. 9490 8 712 108.52

. 9432 5 316 109.50

. 9384 4 504 110.34

9^4. ft 1 T n Q 7 ± xu . y /

. 9067 6 624 115.32

. 9034 3 525 115. 99

. 8867 6 732 120 . 60

. 8820 3 336 121. 68

. 8552 z X z o • ox

. 8586 2 217 127.56

. 8542 2 820 128.78

. 8492 1 515 130. 19

. 8315 7 515 135.75

. 8281 D C^A 044A -L J D • .8174 1 831 140.87

. 8117 1 327 143.22

.8056 2 813 145.91

.8037 2 535 146.81

. 7920 4 752 153.05

I/I

58
Yttrium Vanadate, YVO4 (tetragonal)

Powder Diffraction File card. No. 4-0457, Broch

(1933).

Additional published patterns. Milligan, Watt,

and Rachford (1949) Nautov (1962), Schwarz (1963),

and Gambino and Guare (1963).

NBS sample. The sample of yttrium vanadate

was furnished by P. Lublin, General Telephone and

Electronics Lab,, Bayside, N. Y.

Analysis by that company showed no impurities

greater than 0.005 percent.

The color of the sample was yellow white and

it was optically positive with indices of refraction

N, -^2.05 and 1,98, Because of the fine particle size and extremely high indices, these values are approximate,

, = 3.6. corundum

Structural data. Broch (1933) determined that

yttrium vanadate has the zircon structure, the space

group Dlh'-Hj/amd (No. 141), and 4(YV0,) per

unit cell.

Lattice constants

a(A) c(A)

Broch (1933) 7.140 6.191

Milligan, Watt, and

Rachford (1949) 7.10 6.27

Nautov (1962) 7.114 6.258

Schwarz (1963) 7.123 6.291

NBS, sample at 25 °C 7.1192 6.2898

The density of yttrium vanadate, calculated from

the NBS lattice constants is 4,247 g/cm^ at 25° C.

References

Broch, E. (1933). Die Kristallstruktur von Yttriumvanadat, Z. physik. Chem. (B) 20, 345-350.

Gambino, J. R. and Guare, C. J. (1963). Yttrium and rare

earth vanadates. Nature 198, (4885) 1084. Milligan, W. O., Watt, L. M., and Rachford, H. H., Jr. (1949).

X ray diffraction studies of heavy metal orthovanadates,

J. Phys. and Colloid Chem. 53, 227-234.

Nautov, v. A. (1962). X ray study of scandium, yttrium, ceri- um, neodymium, and gadolinium orthovanadates, Zh.

Strukt. Khim. 3, 608-611.

Schwarz, H. (1963). Uber die chromate(V) derSeltenen Erden,

IV. Yttriumchromat(V) YCrO., Z. anorg. u allgem.

Chem. 322, 137-149.

Internal standard W, a = 3.16504 A

CuKai k = 1.5405 A; temp. 25 °C

d(A) I hkl 26(°)

4.711 QO 101 18 . 82

3 .559 100 200 25.00

2.831 1 211 31. 58

2.668 46 112 33 . 56

2.518 12 220 3 5. 63

2.357 CD 909 38.15

2.220 12 301 40. 6T

2.112 5 103 45.03

1. 884 6 321 48. 26

1. 830 46 312 49. 78

1 . 780 W SI 9R

1.751 1 213 52.19

1. 666 1 411 55,09

1.5915 8 420 57.89

1.5722 4 004 58. 67

1 . 5485 L 59.66

1.4805 11 332 62.70

1.4381 7 204 64.77

1.3 884 3 501 67.39

1.3334 7 224 7 ) . 57

< 1

7/J.J/ ^ ^7

1. 2761 7 512 74. 25

1.2586 2 440 75 .47

1. 1865 5 600 80.96

1. 1783 3 503,404 81. 64

1 . 1699 1 ^ J

f 82.35

1. 1507 1 611 84. lA

1. 1383 7 532 85. 17

1. 1255 4 620 86.37

1. 1189 5 424 87.01

1

T O C ^ J . X J- 1.0466 1 631 94. 78

1. 0262 2 116 97 . 29

1 . 0218 613 97 . 84

1. 0164 1 415 98. 54

W . ,70/0 o X1 nU o R q Z. a J J .9826 2 444, 543 103 . 24

.9662 1 721 105. 73

. 9643 1 534 106.03

.9589 5 712 106, 88

o Xo 108 . 30

.9472 3 604, 633 108.81

. 9427 1 505 109. 59

.9153 3 624, 703 114. 61

.8960 4 732 118. 56

. o o ^ / 9 oUU 119 . 93

.8890 2 336 120. 39

. 8745 1 811 123 .47

.8648 2 217 125,91

.8633 2 820 126,31

.83 83 6 516 133,51

. 8362 5 644, 653 134.19

I/I

59
Zirconium Dihydride, ZrH2 (tetragonal)

Powder Diffraction File cards. None.

Additional published patterns. None.

NBS sample. The sample of zirconium hydride

was obtained as grade "R" from Metal Hydrides

Inc., Beverly, Mass.

The sample was dark gray and opaque.

I/I ndum = 8.8.

Structural data. Rundle, Shull, and Wollan (1952)

determined that zirconium dihydride has a bodycentered tetragonal structure and 2(ZrH2) per

unit cell. The constants of Hagg have been converted to a body-centered cell.

Lattice constants

a(A) c(A)

Hagg (1930) 3.517 4.449

Rundle, Shull, and

Wollan (1952) 3 .520 4.449

NBS, sample at 25°C 3.5199 4.4500

The density of zirconium hydride calculated from

the NBS lattice constants is 5.616 g/cm^ at 25°C.

References

Hagg, G. (1930). Rontgenuntersuchungen liber die Hydride von

Titan, Zirconium, Vanadin, und Tantal, Z. physik. Chem.

B 11, 433. Rundle, R. E., Shull, C. G., and Wollan, E. O. (1952). The

crystal structure of thorium and zirconium dihydrides

by x-ray and neutron diffraction. Acta Cryst. 5, 22-26.

Internal standard W, a = 3.16504 A

ai \ = 1.5405 A; temp. 25 °C

o

rla /A \ (A) I hkl 26(°)

2.7608 ±UU 10"! J. U X 3 2.40

2.4886 zo X X w 35.06

2.2248 11 002 40.51

1.7599 11 200 51.91

1 . ODO

17 112 55. 34

1.4843 zU Z -L X b2 . 51

1.3804 8 h7 R3

1.3666 7 103 58. 51

1.2443 2 220 7b. 51

1.1345 4 301 85. 51

1, 1128 4 87 . 50

1.0863 3 Z9 Z9 0Z 90.32

1.0797 213 91.02

1.0155 2 114 98.65

0.9955 5 312 101.38

. 9537 J O ^ J. 107 . 73

.9403 z 110 . 00

. 9204 2 303 113.63

. 8801 1 400 122 . 14

. 8628 2 105 125.45

. 8385 3 411 133 .42

.8294 3 330, 224 136.46

.8184 2 402 140.48

.8156 4 323 141.53

.7869 6 420, 314 155.41

60
CALCULATED POWDER PATTERNS

Antimony Terbium, SbTb (cubic)

Additional published patterns. Olcese (1961).

Structural data. Brixner (1960) determined that

antimony terbium is isostructural with sodium

chloride with the space group Oh-Fm3m (No. 225)

and 4(SbTb) per unit cell. The atoms occupy the

special positions:

Sb: q

0 p

;F.C.

Tb: 2" a" 2" ;F.C.

Lattice constants

a(A)

Brixner (1960) 6.178

Olcese (1961) 6.181

landelli (1961) 6.180

The lattice constant used in this calculated pattern

is the average value a = 6.180 A.

The calculated density is 7.898 g/cm\

Calculated Pattern

CuKa, k = 1.5405 A

d(A)

fPeak \

^[height)

hkl 2e(")

3.57 3 111 24.93

3.09 100 200 28.87

2.18 69 220 41.28

1.863 1 311 48.81

1.784 23 222 51.16

1.545 10 400 59.81

1.418 <1 331 65.81

1.382 26 420 67.75

1.251 19 422 75.26

1.189 40 511 80.73

1.092 6 440 89.67

1.045 <.l 531 95.01

1.030 12 600 96.80

0.977 9 620 104.0

.942 <1 533 109.6

.932 8 622 115.3

.892 3 444 119.4

.865 <1 711 125.8

.857 8 640 128.0

.826 16 642- 137.7

.805 <1 731 146.4

Barium Selenide, BaSe (cubic)

Additional published pattern. Slattery (1925).

Structural data. Haase (1927) determined that

barium selenide is isostructural with sodium

chloride with the space group Oh-Fm3m (No. 225)

and 4(BaSe) per unit cell. The atoms occupy the

special positions:

Ba: 0 0 0 ;F.C.

Se: 2" ^ 2" ;F.C.

The lattice constant used in this calculated pattern

is a = 6.600 A as reported by Miller, Komarek,

and Cadoff (1960).

The calculated density is 4.997 g/cnj^

Calculated Pattern

CuKa, \ = 1.54b5 A

o d(A)

/Peak \

[height)

hkl

3.81 13 111 23.32

3.30 100 200 27 .00

2.33 70 220 38.55

1.990 5 311 45.54

1.905 23 222 47.69

1.650 10 400 55. 66

1.514 2 331 61.15

1.476 27 420 62.92

1.347 19 422 69.74

1.270 1 511 74. 66

1.167 6 440 82. 63

1.116 1 531 87.33

1.100 12 600 88.89

1.044 8 620 95.14

1.006 <1 533 99.86

0.995 7 622 101.4

.953 2 444 107.9

.924 <1 711 112.9

.915 6 640 114.6

. 882 12 642 121.7

.859 1 731 127.4

.825 2 800 138.0

.806 <1 733 145.6

.800 13 820 148.5
Beryllium Cobalt, BeCo (cubic) Beryllium Palladium, BePd (cubic)

Structural data. Misch (1936) determined that

beryllium cobalt is isostructural with cesium chloride with the space group Oi-PmSm (No. 221) and

l(BeCo) per unit cell. The atoms occupy the special positions:

Be: 0 0 0

Co: 2 2 2 The lattice constant used in this calculated pattern

is a = 2,611 A as reported by Misch (1936),,

The calculated density is 6.338 g/cm'.

Structural data. Misch (1936) determined that

beryllium palladium is isostructural with cesium

chloride with the space group Oh-Pm3m (No. 221)

and l(BePd) per unit cell. The atoms occupy the

special positions:

Be: 0 0 0

x->A i JL i

Fd: 2 2 2 The lattice constant used in this calculated pattern

is a = 2.819 A as reported by Misch (1936).

The calculated density is 8,554 g/cm^.

Calculated Pattern

CuKa, \ = 1.5405 A

Calculated Pattern

CuKa, \ = 1.5405 A

d(A)

/Peak \

[height J hkl 2er)

2.61 100 100 34.3

1.846 89 110 49.3

1.507 19 111 61.5

1.306 12 200 72.3

1.168 21 210 82.6

1.066 23 211 92.5

0.923 8 220 113.1

.870 12 300 124.5

.826 15 310 137.8

.787 11 311 156. 2

d(A) /Peak \

[height)

hkl 26(")

2.82 100 100 31.7

1.993 82 110 45.5

1.628 21 111 56.5

1.410 11 200 66.2

1. 261 23 210 75.3

1.151 21 211 84.0

0.997 7 220 101. 22

.940 13 300 110.11

.891 13 310 119.55

.850 10 311 129.98

.814 4 222 142.35

62
Cadmium Cerium, CdCe (cubic) Cadmium Lanthanum, CdLa (cubic)

Powder Diffraction File card. No. 2-1455, landelli and Botti (1937).

Structural data. landelll and Botti (1937) determined that cadmium cerium is isostructural with

cesium chloride, with the space group Oh-Pm3m

(No. 221) and l(CdCe) per unit cell. The atoms

occupy the special positions:

Cd: 0 0 0

ue: 2 2 2 The lattice constant used in this calculated pattern

is a = 3.865 A as reported by landelli and Botti

(1937).

The calculated density is 7.262 g/cm^.

Powder Diffraction File card. No. 2-0855, landelli and Botti (1937).

Structural data. landelli and Botti (1937) determined that cadmium lanthanum is isostructural

with cesium chloride, with the space group

Oi-Pm3m (No. 221) and l(CdLa) per unit cell.

The atoms occupy the special positions:

Cd: 0 0 0

T a- i i i i^a. 2 2 2 The lattice constant used in the calculated pattern

is a = 3,905 A as reported by landelli and Botti

(1937).

The calculated density is 7.008 g/cm\

Calculated Pattern

CuKa, k = 1.5405 A

Calculated Pattern

CuKa, \ = 1.5405 A

o d(A)

/ T3pnb \

[height/

hkl 20(")

3.86 1 100 23.0

2.73 100 110 32.7

2.23 <1 111 40.4

1.932 16 200 47,0

1.728 <1 210 52.9

1.578 31 211 58.4

1.366 9 220 68.6

1.288 <1 300 73.4

1,222 12 310 78.

1

1.165 <1 311 82.8

1.116 3 222 87.3

1.072 <1 320 91.9

1.033 14 321 96.4

0,966 2 400 105,7

.937 <1 410 110,5

,911 9 411 115,4

.864 6 420 126.1

.843 <1 421 131.9

.824 6 332 138.4

.789 6 422 155.0

d(A} /Peak \

[height)

hkl 2e(")

3.90 1 100 22.8

2, 76 100 110 32.4

2.25 <1 111 40.0

1.952 16 200 46.5

1.746 <1 210 52.3

1,594 31 211 57.8

1.381 9 220 67 .8

1.302 <1 300 72.6

1. 235 12 310 77.2

1.177 <1 311 81.7

1.127 3 222 86.2

1.044 14 321 95.1

0.976 2 400 104.2

,947 <1 410 108.8

.920 8 411 113,6

, 873 5 420 123,8

.852 <1 421 129,4

.833 6 332 135,4

.797 6 422 150,2

63
Cadmium Praseodymium, CdPr (cubic) Calciiun Selenide, CaSe (r.ubic)

Powder Diffraction File card. No. 2-1457, landelli and Botti (1937).

Structural data. landelli and Botti (1937) determined that cadmium praseodymium is isostructural with cesium chloride, with the space group

Oi-PmSm (No, 221) and l(CdPr) unit cell. The

atoms occupy the special positions:

Cd: 0 0 0 n ill

Pr: 2 T 2"

The lattice constant used in this calculated pattern

is a = 3.830 A as reported by landelli and Botti

(1937),

The calculated density is 7.486 g/cm^

Calculated Pattern

CuKa, K = 1.5405 A

d(A) (Peak \

^(height)

hkl

3.83 2 100 23.20

2.71 100 110 33 .05

2. 21 <1 111 40.77

1.915 16 200 47 .43

1.713 <1 210 53 .45

1. 564 31 211 59.03

1.354 9 220 69.34

1.277 <1 300 74.22

1.211 12 310 78.98

1.155 <1 311 83.67

1.106 3 222 88.32

1.062 <1 320 92.96

1.024 14 321 97.61

0.958 2 400 107.1

.929 <1 410 112.0

.903 9 411 117.1

.856 6 420 128.2

.836 <1 421 134.3

.817 6 332 141.2

Additional published pattern. Oftedal (1927),

Structural data. Oftedal (1927) determined that

calcium selenide is isostructural with sodium

chloride with the space group Oh-Fm3m (No. 225)

and 4(CaSe) per unit cell. The atoms occupy the

special positions:

Ca: 0 0 0 ;F.C.

Se: i i i ;F.C.

Lattice constants

a(A)

Oftedal (1927) 5.924

Senff and Klemm (1939) 5.924

The lattice constant used in this calculated pattern

is a = 5.924 A,

The calculated density is 3.803 g/cm^.

Calculated Pattern

CuKa, k = 1.5405 A

d(A) (Peak \

'(height)

hkl 2e(")

3.42 18 111 26.03

2.96 100 200 30.15

2.09 65 220 43.15

1.786 8 311 51.09

1.710 20 222 53.54

1.481 9 400 62.68

1.359 3 331 69.05

1.325 23 420 71.11

1.239 16 422 79.13

1.140 2 511 85.00

1.047 5 440 94.70

1.001 2 531 100.6

0.987 11 600 102.6

.937 8 620 110.6

.903 <1 533 117.0

.893 8 622 119.2

.855 2 444 128.5

.830 2 711 136.4

.822 8 640 139.3

.792 17 642 153.3
Cerium Magnesium, CeMg (cubic) Cerium Zinc, CeZn (cubic)

No. 9-61, Rossi

Additional published pattern. Nowotny (1942).

Powder Diffraction File card

(1934).

Structural data. Nowotny (1942) determined that

cerium magnesium is isostructural with cesium

chloride, with the space group O^-PmSm (No. 221)

and l(CeMg) per unit cell. The atoms occupy the

special positions:

Ce: 0 0 0

Mg: iii

Lattice constants

a(A)

Rossi (1934) 3.892

Nowotny (1942) 3.906

The calculations are based on the average value, a = 3.899 A.

The calculated density is 4.606 g/cm^.

Calculated Pattern

CuKa, k = 1.5405 A

d(A) /Peak \

[height)

hkl 26

3.90 62 100 22.8

2.76 100 110 32.4

2.25 17 111 40.0

1.950 16 200 46.5

1.744 21 210 52.4

1.592 31 211 57.9

1.378 9 220 67.9

1.300 9 300 72.7

1.233 12 310 77.3

1.176 5 311 81.9

1. 126 3 222 86.4

1.081 4 320 90.8

1.042 14 321 95.3

0.975 1 400 104.4

.946 6 410 109.1

.919 8 411 113 .9

.894 3 331 118.9

.872 5 420 124.1

.851 6 421 129.7

.831 5 332 135.8

.796 6 422 150.8

Powder Diffraction File card. No. 2-0974, landelli and Botti (1937).

Structural data. landelli and Botti (1937) determined that cerium zinc is isostructural with

cesium chloride, with the space group Oh-Pm3m

(No. 221) and l(CeZn) per unit cell. The atoms

occupy the special positions;

Ce: 0 0 0

The lattice constant used in this calculated pattern

is a = 3.704 A as reported by landelli and Botti

(1937).

The calculated density is 6.714 g/cm^.

Calculated Pattern

CuKa, k = 1.5405 A

o a(A) /Peak \

[height)

UKI

3 .70 15 100 24.0

2.62 100 110 34.2

2. 14 4 111 42.2

1.852 16 200 49.2

1.656 5 210 55.4

1.512 29 211 61.2

1.310 8 220 72.1

1.235 2 300 77.2

1.171 11 310 82.2

1.117 1 311 87.2

1.069 3 222 92.2

1.027 1 320 97.1

0.990 14 321 102. 2 .926 2 400 112.6

.898 2 410 118,0

.873 9 411 123 .8

.850 <1 331 130.0

.828 6 420 136,9

.808 2 421 144,7

.790 7 332 154, 5

65
Dysprosium Gold, DyAu (cubic) Dysprosium Silver, DyAg (cubic)

Structural data: Chao, Luo, and Duwez (1963)

reported that dysprosium gold is isostructural with

cesium chloride, with the space group 0J-Pm3m

(No. 221) and 1 (DyAu) per unit cell. The atoms

occupy the special positions;

Dy: 0 0 0

Au; -g- 2" The lattice constant used in this calculated pattern

is a = 3. 555 A as reported by Chao, Luo, and Duwez

(1963).

The calculated density is 13.28 g/cm3.

Calculated Pattern

CuKa, K = 1.5405 A

o d(A)

/Peak \

[height/

hkl 26n

3.56 1 100 25o03

2.51 100 110 35.69

2.05 <1 111 44.08

1.778 16 200 51.36

1.590 <1 210 57o96

1.451 30 211 64. 11

1.257 9 220 75.59

1.185 <1 300 81.08

1.124 12 310 86.50

1.072 <1 311 91.88

lo026 3 222 97.28

0o986 <1 320 102.7

o950 17 321 108.3

.889 2 400 120.2

.862 <1 410 126.6

o838 8 411 133.6

.816 <1 331 141.6

.795 9 420 151.4

Structural data. Baenziger and Moriarty (1961)

determined that dysprosium silver is isostructural

with cesium chloride with the space group O ^-Pm3m

(No. 221) and l(DyAg) per unit cell. The atoms

occupy the special positions:

Ag: 0 0 0

r-> ill

Dy: 2 2" 2- The lattice constant used in this calculated pattern

is a = 3.608 A as reported by Baenziger and Moriarty (1961).

The calculated density is 9.558 g/cm^

Calculated Pattern

CuKa, k = 1.5405 A

d(A) /Peak \

[height)

hkl

3.61 4 100 24, 65

2.55 100 110 35.14

2.08 1 111 43.40

1,804 15 200 50.55

1,614 2 210 57.03

1,473 29 211 63.06

1. 276 8 220 74, 29

1, 203 <1 300 79, 65

1.141 11 310 84,92

1.088 <1 311 90,15

1.042 3 222 95,38

1,001 <1 320 100,66

0,964 15 321 106,03

,902 2 400 117, 28

,875 <1 410 123,34

,850 10 411 129.8

.828 <1 331 137 ,0

.807 7 420 145,4

,787 <1 421 156,
Erbium Silver, ErAg (cubic)

Structural data: Chao, Luo, and Duwez (1963)

reported that erbium silver is isostructural with

cesium chloride, with the space group Oh-Pm3m

(No. 221) and l(ErAg) per unit cell. The atoms

occupy the special positions:

Er: 0 0 0

Ag: -t ^ 'k

Lattice constants

a(A)

Dwight (1959a) 3.58

Chao, et al. (1963) 3.574

The lattice constant used in this calculated pattern

o is the average value a = 3.577 A.

^ The calculated density is 9.98 g/cm ,

Calculated Pattern

CuKa, K = 1.5405 A

d(A)

/Peak \

[height)

hkl

3.57 5 100 24.9

2.53 100 110 35.5

2.06 1 111 43.8

1.787 15 200 51.1

1.598 2 210 57.6

1.459 28 211 63.7

1.264 8 220 75.1

1.191 <1 300 80.6

1.130 11 310 85.9

1.078 <1 311 91.2

1.032 3 222 96.6

0.991 <1 320 102.0

.955 15 321 107.5

.894 2 400 119.1

.867 <1 410 125.4

.842 11 411 132.2

.820 <1 331 139.9

.799 8 420 149.1

Gadolinium Indium, Gdin (cubic)

Structural data: Baenziger and Moriarty (1961)

reported that gadolinium indium is isostructural

with cesium chloride, with the space group OjPm3m (No. 221) and l(Gdln) per unit cell. The

atoms occupy the special positions:

Cki: 0 0 0

In i i i 11' • 2 2 2 The lattice constant used in this calculated pattern

is a = 3.830 A as reported by Baenziger and Moriarty (1961).

The calculated density is 8.041 g/cm^.

Calculated Pattern

CuKtt, \ = 1.5405 A

o d(A) (Peak \

\height

)

hkl 2e('')

3.83 3 100 23.20

2.71 100 110 33.05

2.21 <1 111 40.77

1.915 16 200 47.43

1.713 <1 210 53.45

1.564 31 211 59.03

1.354 9 220 69.34

1.277 <1 300 74.22

1.211 12 310 78.98

1.155 <1 311 83.67

1.106 3 222 88.32

1.062 <1 320 92.96

1.024 15 321 97.61

0.958 2 400 107.1

.929 <1 410 112.0

.903 9 411 117.1

.879 <1 331 122.5

.856 6 420 128.2

.836 <1 421 134.3

.817 6 332 141.2
Gold Holmium, AioHo (cubic)

Structural data. Dwight (1961) reported that gold

holmium is isostructural with cesium chloride,

with the space group 0h-Pm3m (No. 221) and 1 (AuHo) per unit cell. The atoms occupy the special positions:

Au: 0 0 0

Ho: iii

Lattice constants

a(A)

Dwight (1961) 3.549

Chao, et al. (1963) 3.541

The lattice constant used in this ^calculated pattern

is the average value a = 3.545 A.

The calculated density is 13.49 g/cm^.

Calculated Pattern

CuKa, \ = 1.5405 A

d(A) (peak \

^(height)

hkl 2ec)

3.54 1 100 25.1

2.50 100 110 35.8

2.04 <1 111 44.3

1.770 16 200 51.6

1.584 <1 210 58.2

lo446 30 211 64.4

1.252 9 220 75.9

1.180 <1 300 81.5

1.120 12 310 86.9

1.068 <1 311 92.4

1.022 3 222 97.8

0.946 17 321 109.0

.885 2 400 120.9

.859 <1 410 127.5

.835 12 411 134.7

.792 9 420 153.2

Holmiiun Silver, HoAg (cubic)

Structural data. Walline and Wallace (1964)

determined that holmium silver is isostructural

with cesium chloride with the space group O h - Pm3m

(No, 221) and l(HoAg) per unit cell. The atoms

occupy the special positions:

Ag: 0 0 0

IT 111

Ho: 2" 2" T

The lattice constant used in this calculated pattern

is the average value a = 3.593 A,

The calculated density is 9.765 g/cm^

Lattice constants

a(A)

Dwight (1959a) 3.594

Chao, et al. (1963) 3.592

Calculated Pattern

CuKa, k = 1.5405 A

d(A} (Peak \

^(height)

hkl 29(")

3.59 4 100 24,76

2.54 100 110 35,31

2,07 1 111 43,61

1.79 15 200 50,79

1.606 2 210 57,30

1,466 29 211 63.37

1,270 8 220 74,68

1, 197 <1 300 80,08

1.136 11 310 85,39

1.083 <1 311 90,67

1.037 3 222 95,95

0,996 <1 320 101,3

,960 15 321 106,7

,898 2 400 118.1

,871 <1 410 124.3

,847 11 411 131,0

.824 <1 331 138.4

.803 8 420 147.1

. 784 <1 421 158.6
Lanthanum Magnesium, LaMg (cubic) Lanthanum Phosphide, LaP (cubic)

Powder Diffraction File card. No. 9-241, Rossi

(1934).

Additional published pattern. Nowotny (1942).

Structural data. Nowotny (1942) determined that

lanthanum magnesium is isostructural with cesium

chloride, with the space group Oh-Pm3m (No. 221)

and l(LaMg) per unit cell. The atoms occupy the

special positions:

0 0 0

Additional published pattern.

(1936),

landelli and Botti

La:

Mg: 1 i i

2 2 2

Lattice constants

a(A)

Rossi (1934) 3.960

Nowotny (1942) 3.973

The calculations are based on the average value, a = 3.966 A.

The calculated density is 4.345 g/cm'.

Calculated Pattern

CuKa, \ = 1.5405 A

d(A) /Peak \

[height)

hkl 2B('')

3.97 62 100 22.40

2.80 100 110 31.88

2. 29 16 111 39.31

1.983 16 200 45.71

1.774 20 210 51.48

1.619 31 211 56.81

1.402 9 220 66.64

1.322 9 300 71. 27

1.254 12 310 75.78

1.196 5 311 80 . 20

1.145 3 222 84.56

1.100 4 320 88. 89

1.060 14 321 93 . 22

0.992 1 400 102,0

.962 6 410 106.4

.935 8 411 111.0

.910 3 331 115. 7 .887 5 420 120.6

.865 5 421 125.8

.846 5 332 131.3

.810 5 422 144.2

.793 4 500 152.4

Structural data. landelli and Botti (1936) determined that lanthanum phosphide is isostructural

with sodium chloride with the space group Oh -Fm3m

(No. 225) and 4(LaP) per unit cell. The atoms

occupy the special positions:

La:

P:

0 0 0 ;F.C.

2 2 2 j-T.*-.

The lattice constant used in this calculated pattern

is a = 6.025 A as reported by landelli and Botti

(1936).

The calculated density is 5.159 g/cm^.

Calculated Pattern

CuKa, \ = 1.5405 A

d(A)

/Peak \

[height j

hkl 2e(")

3.48 78 111 25.6

3.01 100 200 29.6

2.13 66 220 42.4

1.817 32 311 50.2

1.739 22 22Z 52.6

1.506 10 400 61.5

1.382 12 331 67.7

1.347 25 420 69.7

1.23 0 18 422 77 .6

1.160 8 511 83.3

1.065 6 440 92.6

1.018 9 531 98.3

1.004 12 600 100.2

0.953 9 620 107.9

.919 4 533 113.9

. 908 9 622 116.0

.870 3 444 124.7

.844 7 711 131.8

.83 6 8 640 134.4

.805 17 642 146. 2 .784 13 731 158.2

69
Lanthanum Zinc, LaZn (cubic) Magnesivim Selenide, MgSe (cubic)

Powder Diffraction File card. No. 2-1460, landelli and Botti (1937).

Structural data. landelli and Botti (1937) determined that lanthanum zinc is isostructural with

cesium chloride, with the space group Oh-Pm3m

(No. 221) and l(LaZn) per unit cell. The atoms

occupy the special positions:

La: 0 0 0

Zn: g' "2" "2"

The lattice constant used in this calculated pattern

is a = 3.760 A as reported by landelli and Botti

(1937).

The calculated density is 6.381 g/cm\

Calculated Pattern^

CuKa, \ = 1.5405 A

d(A) (peak \

\neignt

/

hkl 260

3.76 14 100 23 . 64

2.66 IOj 110 33.68

2.17 4 111 41.56

1.880 16 200 48.37

1.682 5 210 54.52

1.535 30 211 60.24

1.329 9 220 70.82

1.253 2 300 75.84

1.189 11 310 80. 75

1. 134 1 311 85 . 60

1.085 3 222 90.41

1.043 1 320 95.23

1.005 14 321 100.

0.940 2 400 110.0

.912 2 410 115.3

.886 9 411 120.7

.863 <1 331 126. 5 .841 6 420 132.7

.820 2 421 139. 7 .802 6 332 147 .8

Additional published pattern. Broch (1927).

Structural data. Broch (1927) determined that

magnesium selenide is isostructural with sodium

chloride with the space group Oh-Fm3m (No. 225)

and 4(MgSe) per unit cell. The atoms occupy the

special positions:

Mg: 0 0 0 ;F.C.

Se: 5" g- -g- ;F.C.

The lattice constant used in this calculated pattern

is a = 5.462 A as reported by Broch (1927).

The calculated density is 4.209 g/cm^

Calculated Pattern

CuKa, K = 1.5405 A

d(A) (Peak \

^(height)

hkl 29(")

3.15 54 111 28.3

2.73 100 200 32.8

1.931 64 220 47.0

1.647 19 311 55.8

1.577 20 222 58.5

1.366 9 400 68.7

1.253 7 331 75.9

1.221 22 420 78.2

1.115 16 422 87.4

1.051 6 511 94.2

0.966 5 440 105.8

.923 7 531 113.1

.910 13 600 115.6

.864 10 620 126.2

.833 3 533 135.2

.823 9 622 138.6

. 788 4 444 155.4
Neodymium Selenide, NdSe (cubic) Neodymium Silver, NdAg (cubic)

Structural data. landelli (1955) determined that

neodymium selenide is isostructural with sodium

chloride with the space group Oh-Fm3m (No» 225)

and 4(NdSe) per unit cell. The atoms occupy the

special positions:

Nd: 0 0 0 ;F.C.

Se: -J- ;F.C.

Lattice constants

a(A)

landelli (1955) 5»909

Guittard and Benecerraf (1959) 5.891

The lattice constant used in this calculated pattern

is the average value a = 5.900 A.

The calculated density is 7.218 g/cm^

Calculated Pattern

CuKa, k = 1.5405 A

d(A)

/Peak \

(height)

hkl 2en

3.41 16 111 26.1

2.95 100 200 30.3

2.09 67 220 43 .3

1.779 7 311 51.3

1.703 22 222 53.8

1.475 9 400 63.0

1.354 2 331 69.4

1.3la 25 420 71.4

1. 204 18 422 79.5

1.135 2 511 85.4

1.043 & 440 95.2

0.997 2 531 101.1

.983 13 600 103 .

.933 9 620 111.3

.900 <1 533 117.8

.889 9 622 120.0

.852 3 444 129.5

.826 2 711 137 . 6

.818 9 640 140. 6

.788 20 642 155.4

I

ll

structural data, landelli (1960) reported that

neodymium silver is isostructural with cesium

chloride with the space group Oh-Pm3m (No. 221)

and l(NdAg) per unit cell. The atoms occupy the

special positions:

Nd: 0 0 0

Ag: i

Lattice constants

a(A)

Dwight (1959a) 3.722

landelli (1960) 3.711

Perro (1955) 3.714

The lattice constant used in this^ calculated pattern

is the average value a = 3,716 A.

The calculated density is 8.158 g/cm^.

Calculated Pattern

CuKa, \ = 1.5405 A

d(A)

/Peak \

(height)

hkl 2Qn

3.71 2 100 23.9

2.63 100 110 34.1

2.14 <1 111 42.1

1.857 16 200 49.0

1.661 <1 210 55.3

1.516 29 211 61.1

1.313 8 220 71.8

1.238 <1 300 77.0

1.174 11 310 82.0

1.120 <1 311 86.9

1.072 3 222 91.9

1.030 <1 320 96.8

0.993 14 321 101,8

.928 2 400 112.1

.901 <1 410 117,5

.875 9 411 123.3

.852 <1 331 129.4

.830 6 420 136.1

.810 <1 421 143 .8

.792 7 332 153.2
Palladium Hydride, PdH 0.706 (cubic) Praseodymium Zinc, PrZn (cubic)

Structural data. Worsham, Wilkinson, and Shull

(1957) determined that palladium hydride is isostructural with sodium chloride with the space group

Oh^-Fm3m (No. 225) and 4(PdH) per unit cell. The

atoms occupy the special positions:

Pd: 0 0 0 ;F.C.

H: X X

2 S

1_ .;F.C.

The lattice constant used in this calculated pattern

is a = 4.02 A as reported by Worsham, Wilkinson,

and Shull (1957).

The calculated density is 11.0 g/cm^.

Powder Diffraction File card.

delli and Botti (1937).

No. 2-0994, lanStructural data, landelli and Botti (1937) determined that praseodymium zinc is isostructural with

cesium chloride, with the space group Oh-Pm3m

(No, 221) and l(PrZn) per unit cell. The atoms

occupy the special positions:

Pr: 0 0 0

Zn: 1 i i

2 2 2 The lattice constant used in this calculated pattern

is a = 3.678 A as reported by landelli and Botti

(1937).

The calculated density is 6.884 g/cm\

Calculated Pattern

CuKa, K = 1.5405 A

d(A)

/Peak \

'(height)

hkl 2e(")

2.32 100 111 38.8

2. 31 49 200 45.1

1.42 26 220 65.6

1.21 29 311 78. 9

1.16 8 222 83 . 2 1.00 4 400 100.

0.922 15 331 113 .3

.899 14 420 117.9

.821 14 422 139. 7

Calculated Pattern

CuKa, K = 1.5405 A

d(A) (Peak \

'[height)

hkl 2e(")

3.68 16 100 24.2

2,60 100 110 34.4

2,12 4 111 42.5

1,839 16 200 49.5

1. 645 5 210 55.8

1,501 29 211 61.7

1,300 8 220 72.6

1,226 2 300 77.8

1,163 11 310 82.9

1,109 1 311 88.0

1,062 3 222 93.0

1,020 1 320 98,1

0,983 15 321 103 .2

,920 2 400 113.8

,892 2 410 119.4

,867 9 411 125.4

. 844 1 331 131.8

,822 7 420 139.0

,803 2 421 147,4

,784 8 332 158,4

72
Rubidium Amide, RbNHj at 50 °C (cubic) Samarium Silver, SmAg (cubic)

Powder Diffraction File card. No. 12-748, Juza

and Mehne (1959).

Structural data. Juza and Mehne (1959) determined that rubidium amide is isostructural with

sodium chloride with the space group Oh-Fm3m

(No, 225) and 4(RbNH2) per unit cell. The atoms

occupy the special positions:

Rb: 0 0 0 ;F.C.

N: iii;F.C.

H: Undetermined

The lattice constant used in this calculated pattern

is a = 6.395 A as reported by Juza and Mehne (1959).

The calculated density is 2.577 g/cm^.

Calculated Pattern

CuKa, k = 1.5405 A

o d(A)

/Peak \

'(height)

hkl 20("}

XU J 111 X X ± 24 . (Ja

3.20 100 200 27.88

2.26 65 220 39.84

1.928 42 311 47.39

1.846 21 222 49.32

1.599 9 400 57 . 60

1.467 15 331 63.34

1.430 23 421 65.18

1.305 16 422 72.32

1.231 11 511 77.49

1.130 5 440 85.90

1.081 11 531 90.89

1.066 10 600 92.55

1.011 7 620 99.24

0.975 4 533 104.3

.964 6 622 105.

.923 2 444 113.1

.895 7 711 118.7

.887 6 640 120.6

.855 11 642 128. 7 .833 11 731 135.4

.799 2 800 149.0

Structural data: Walline and Wallace (1964)

reported that samarium silver is isostructural with

cesium chloride, with the space group O^-PmSm

(No. 221) and l(SmAg) per unit cell. The atoms

Sm: 0 0 0

A cr • 1 1 1 "^6 -222

Lattice constants

a(A)

Dwight (1959a) 3.678

landelli (1960) 3.684

Chao, et al. (1963) 3.673

The lattice constant used in this calculated pattern

o is the average value a = 3.678 A.

The calculated density is 8.617 g/cm^.

Calculated Pattern

CuKa, K = 1.5405 A

d(A) /peak \

[height)

hkl 2e(")

3.67 3 100 24.2

2.60 100 110 34.5

2.12 <1 111 42.6

1.836 16 200 49.6

1.643 1 210 55.9

1.500 29 211 61.8

1.299 8 220 72.8

1.224 <1 300 78.0

1.162 11 310 83.1

1.107 <1 311 88.

1.060 3 222 93.2

1.019 <1 320 98.2

0.982 15 321 103.4

.918 2 400 114.0

.891 <1 410 119.7

.866 10 411 125.7

.843 <1 331 132.2

.821 7 420 139.4

.802 <1 421 147.9

.783 8 332 159.2
Silver Terbium, AgTb (cubic) Silver Thulium, AgTm (cubic)

Structural data: Walline and Wallace (1964) re- ported that silver terbium is isostructural with

cesium chloride, with the space group Oj-PmSm

(No. 221) and l(AgTb) per unit cell. The atoms

occupy the special positions:

Ag: 0 0 0

The lattice constant used in this calculated pattern

is a= 3.625 A as reported by Chao, Luo, and Duwez

(1963).

The calculated density is 9.300 g/cm^.

Calculated Pattern

CuKa, K = 1.5405 A

o d(A) /Peak \

H height

)

hkl 2e(l

3 . 62 4 100 24 . 54

2.56 100 110 34.97

2c09 1 111 43.19

1.812 15 200 50.30

1<,621 1 210 56. 74

lo480 29 211 62.73

1.282 8 220 73.88

1.208 <1 300 79.20

1.146 11 310 84.43

1.093 <1 311 89. 61

1.046 3 222 94.79

1.005 <1 320 100.0

0.969 15 321 105.3

.906 2 400 116.4

.879 <1 410 122.4

.854 10 411 128.7

.832 <1 331 13 5.7

.811 7 420 143.7

.791 <1 421 153.7

Structural data: Chao, Luo, and Duwez (1963)

reported that silver thulium is isostructural with

cesium chloride, with the space group Oh-Pm3m(No.

221) and l(AgTm) per unit cell. The atoms occupy

the special positions:

Ag: 0 0 0

Tm: i i i

The lattice constant used in this calculated pattern

is a = 3. 562 A as reported by Chao, Luo, and Duwez

(1963).

The calculated density is 10.17 g/cm^.

Calculated Pattern

CuKa, \ = 1.5405 A

d(A) /Peak \

^(height)

hkl 2e(")

3 .56 5 100 24.98

2.52 100 110 35.61

2.06 2 111 43.99

1.781 16 200 51.25

1.593 2 210 57.83

1.454 29 211 63.97

1.259 8 220 75.41

1.187 1 300 80.89

1.126 11 310 86.28

1.074 <1 311 91.65

1.028 3 222 97.02

0.988 <1 320 102.5

.952 5 321 108.0

.890 2 400 119.8

.864 <1 410 126.2

.840 7 411 133.1

.817 <1 331 141.0

.796 8 420 150.5
Silver Yttrium, AgY (cubic) Terbium Arsenide, TbAs (cubic)

Structural data. Moriarty et al. (1966) reported

that silver yttrium is isostructural with cesium

chloride with the space group 0{,-Pm3m (No. 221)

and l(AgY) per unit cell. The atoms occupy the

special positions:

Ag: 0 0 0

V- i i i • 2 2 2

Additional published pattern. Olcese (1961).

Structural data. Brixner (1960) determined that

terbium arsenide is isostructural with sodium chloride with the space group Oh-Fm3m (No, 225) and

4(TbAs) per unit cell. The atoms occupy the special

positions:

Tb: 0 0 0 ;F.C.

As: '2 'k i >F.C.

Lattice constants Lattice constants

a(A) a(A)

Dwight (1959b) 3.617 Brixner (1960) 5.813

Bruzzone, et al. (1962) 3.619 Olcese (1961) 5.827

Moriarty, et al. (1966) 3.6196 landelli (1961) 5.827

The lattice constant used in this calculated pattern

o is a = 3.6196 A as reported by Moriarty et al. (1966).

The calculated density is 6.890 g/cm^.

The lattice constant used in this calculated pattern

is the average value a = 5.822 A.

The calculated density is 7.870 g/cm^

Calculated Pattern

CuKa, K = 1.5405 A

d(A) /peak \

[height)

hkl 2e('')

3.62 1 100 24.6

2.56 100 110 35.0

2.09 <1 111 43.3

1.808 15 200 50.4

1.618 <1 210 56.8

1.477 27 211 62.8

1.279 8 220 74.1

1.206 1 300 79.4

1.144 11 310 84.6

1.044 3 222 95.0

0.967 14 321 105. 5 .904 2 400 116.7

.877 1 410 122.7

.853 9 411 129.1

.809 7 420 144.2

.789 <1 421 154.4

Calculated Pattern^

CuKa, k = 1.5405 A

d(A) /Peak \

[height/

hkl

3.36 24 111 26. 5 2.91 100 200 30.7

2.06 88 220 44.0

1.755 13 311 52.

1.680 29 222 54.6

1.455 13 400 63.9

1.335 5 331 70.5

1.301 33 420 72.6

1 . 1S8 24 422 80.8

1.120 4 511 86.9

1.029 8 440 97.0

0.984 4 531 103.1

.970 17 600 105.1

.920 13 620 113.6

.888 2 533 120.4

.877 13 622 122. 8

.840 4 444 133.0

.815 4 711 141.9

.807 13 640 145.2
Terbium Phosphide, TbP (cubic) Terbium Selenide, TbSe (cubic)

Additional published pattern. Olcese (1961).

Structural data. Olcese (1961) determined that

terbium phosphide is isostructural with sodium

chloride with the space group Oh-Fm3m (No. 225)

and 4(TbP) per unit cell. The atoms occupy the

special positions:

Tb: 0 0 0;F.C.

P: 2" "s s";F,C.

Lattice constants

a(A)

landelli (1961) 5.686

Olcese (1961) 5.688

The lattice constant used in this calculated pattern

o is the average value a = 5.687 A.

The calculated density is 6.857 g/cm^

Calculated Pattern

CuKa, \ = 1.5405 A

d(A) (Peak \

'[height)

hkl 20(")

3. 28 89 111 27.1

2.84 100 200 31.4

2.01 66 220 45.0

1.715 35 311 53.4

1. 642 21 222 56.0

1.422 9 400 65.6

1.305 13 331 72.4

1.272 24 420 74.6

1. 161 18 422 83.1

1.095 9 511 89.5

1.006 5 440 100.0

0.961 11 531 106.5

.948 14 600 108.7

.899 10 520 117.9

.867 5 533 125.3

.858 10 b22 127.9

.821 3 444 139.6

. 7':^6 11 711 150.6

. 789 12 640 155.2

Additional published pattern. Olcese (1961).

Structural data. Olcese (1961) determined that

terbium selenide is isostructural with sodium

chloride with the space group Oh-Fm3m (No. 225)

and 4(TbSe) per unit cell. The atoms occupy the

special positions:

Tb: 0 0 0;F.C.

Se: 'k i ^ ;F.C.

Lattice constants

a(A)

landelli (1961) 5.740

Olcese (1961) 5.741

The lattice constant used in this calculated pattern

is a = 5.741 A.

The calculated density is 8.350 g/cm\

Calculated Pattern

CuKa, K = 1.5405 A

d(A) (peak \

'(height)

hkl 20(")

3.31 22 111 26.87

2.87 100 200 31.13

2.03 66 220 44. 60

1.731 9 311 5 2.84

1. 657 22 222 5 5.39

1.435 9 400 64.91

1.317 3 331 71.58

1.284 25 420 73 .74

1.172 18 422 82.19

1.105 2 511 88.40

1.015 6 440 98. 75

0.970 3 531 105.1

.957 14 600 10 7.2

. 908 10 620 116.1

.875 1 533 123.2

.865 10 622 125. 7 .829 3 444 136.7

.804 3 711 146. 7

. 796 10 640 150.7
Additional published pattern. Olcese (1961).

Structural data. Olcese (1961) determined that

terbium sulfide is isostructural with sodium chloride with the space group Oh-Fm3m (No. 225) and

4(TbS) per unit cell. The atoms occupy the special

positions:

Tb: 0 0 0;F.C.

Additional published pattern. Olcese (1961).

Structural data. Brixner (1960) determined that

terbium telluride is isostructural with sodium

chloride with the space group 0^-Fm3m (No. 225)

and 4(TbTe) per unit cell. The atoms occupy the

special positions:

Tb: 0 0 0 ;F.C.

2" i ^ >F.C.

Lattice constants

a(A)

landelli (1961) 5.517

Olcese (1961) 5.516

The lattice constant used in this calculated pattern

is a = 5.516 A.

The calculated density is 7.558 g/cm^.

Lattice constants

a(A)

Brixner (1960) 6.101

landelli (1961) 6.101

Olcese (1961) 6.102

The lattice constant used in this calculated pattern

is a = 6.101 A.

The calculated density is 8.380 g/cm^

Calculated Pattern

CuKfi, \ - 1.5405 A

Calculated Pattern

CuKa, k = 1.5405 A

d(A) (Peak \

'(height)

hkl 29(")

3.18 83 111 27.99

2.76 100 200 32.43

1.950 63 220 46.53

1.563 33 311 55.18

1.592 20 222 57.86

1.379 9 400 67.91

1. 265 12 331 74.99

1.233 23 423 77.29

1.126 18 422 86.33

1.062 9 511 93.04

0.975 6 440 104.4

.932 11 531 111.4

.919 14 600 113.8

.872 11 620 124.0

.841 5 533 132.6

.832 11 622 135.7

.796 4 444 150.7

d(A) (Peak \

^(height)

hkl 26('')

3.52 3 111 25.25

3.05 100 200 29.25

2. 16 68 220 41.84

1.840 1 311 49. 50

1.762 22 222 51.85

1.526 10 400 60.55

1.400 <1 331 56.76

1.364 26 420 58.74

1. 246 19 422 76.40

1.174 , <1 511 81. 9B

1.079 6 440 91.13

1.031 <1 531 95. 62

1.017 13 500 98.47

0.965 9 620 105.9

.931 <1 533 111.7

.921 8 522 113.7

. 881 3 444 122.0

.854 <1 711 128.7

.845 8 540 131.1

.815 17 542 141. 7

. 794 <1 731 151.7

77
Uranium Oxide, UO (cubic) Uranium Selenide, USe (cubic)

Structural data. Rundle, Wilson, Baenziger, and

Trevebaugh (1958) determined that uranium oxide

is isostructural with sodium chloride with the space

group Oh-Fm3m (No. 225) and 4(U0) per unit cell.

The atoms occupy the special positions:

U: 0 0 0 ;F.C.

2" "5" iF.C.

The lattice constant used in this calculated pattern

is a = 4.91 A as reported by Rundle, Wilson,

Baenziger, and Trevebaugh (1958).

The calculated density is 14.3 g/cm^.

Calculated Pattern

CuKa, A = 1.5405 A

d(A)

/Peak \

\height)

hkl

2.83 100 111 31.5

2.46 66 200 36.6

1.74 41 220 52.7

1.48 36 311 62.7

1.42 13 222 65 .8

1. 23 6 400 77.7

1.13 15 331 86.3

1.10 16 420 89.

1.00 13 422 100.4

0.945 13 511 109. 2 .868 5 440 125.1

. 830 19 531 136.3

.818 15 600 140.5

Structural data. Ferro (1954) determined that

uranium selenide is isostructural with sodium

chloride with the space group Oh-FmSm (No. 225)

and 4(USe) per unit cell. The atoms occupy the

special positions:

U: 0 0 0 ;F.C.

Se; -I"

-g- -g- ;F.C.

The lattice constant used in this calculated pattern

is a = 5.751 A as reported by Ferro (1954).

Khodadad (1961) gives a = 5,66 A.

The calculated density is 11.07 g/cm^ , based on

the value a = 5.751 A.

Calculated Pattern

CuKa, \ = 1.5405 A

o d(A)

/Peak \

[height/

hkl 20(")

3.32 46 111 26.8

2.88 100 200 31.1

2.03 68 220 44.5

1. 734 19 311 52.8

1.660 22 222 55.3

1.438 10 400 64.8

1.319 7 331 71.4

1.286 26 420 73.6

1. 174 19 422 82.0

1.107 5 511 88.2

1.017 6 440 98.5

0.972 6 531 104.8

. 958 14 600 107.0

. 909 11 620 115.8

.877 3 533 122.9

.867 10 622 125.4

.830 4 444 136.2

.805 6 711 146.

.798 12 640 150.0
Ytterbium Selenide, YbSe (cubic) Ytterbium lelluride, Yble (cubic)

Additional published pattern. Senff and Klemm

(1939).

Structural data. Senff and Klemm (1939) determined that ytterbium selenide is isostructural

with sodium chloride with the space group Oh -Fm3m

and 4(YbSe) per unit cell. The atoms occupy the

special positions:

Yb: (J (J U ;r .C

Sfi- ^ ^ ^ ;F.C.

Lattice constants

a(A)

Senff and Klemm (1939) 5.879

landelli (1961) 5.931

Miller, et al. (1962) 5.94

Senff and Klemm (1939) identified the presence of

0.9 weight percent of an impurity. The lattice constant a = 5.935 A used to calculate this pattern is an average of the last two values above.

The calculated density is 8.006 g/cm'.

Calculated Pattern

CuKa, k - 1.5405 A

d(A)

/Peak \

[height)

hkl 2e(")

3.43 26 111 26.0

2.97 100 200 30.1

2.10 68 220 43.1

1.789 11 311 51.0

1.713 22 222 53.4

1.484 10 400 62.6

1.362 4 331 68.9

1.327 25 420 71.0

1.211 18 422 79.0

1.142 3 511 84.8

1.049 6 440 94. 5 1.003 3 531 100.3

0.989 13 600 102.3

.938 10 620 110.3

.905 1 533 116.7

.895 9 622 118.8

.857 3 444 128.1

.831 3 711 135.9

.823 9 640 138.7

.793 20 642 152.4

79

Additional published pattern. Senff and Klemm

(1939).

Structural data. Senff and Klemm (1939) determined that ytterbium telluride is isostructural

with sodium chloride, with the space group

0S-Fm3m (No. 225) and 4(YbTe) per unit cell. The

atoms occupy the special positions:

Yb: 0 0 0 ;F.C.

Te- -4- i i :F C

Lattice constants

a(A)

Senff and Klemm (1939) 6.353

landelli (1961) 6.361

Miller, et al. (1962) 6.37

Senff and Klemm (1939) identified the presence of

0,6 weight percent of an impurity. The lattice

constant a = 6.365 A used to calculate this pattern

is an average of the last two values above.

The calculated density is 7.743 g/cm^.

Calculated Pattern

CuKa, K = 1.5405 A

d(A)

/Peak \

[height)

hkl 20(")

3 . o7 5 111 24.2

3 . 18 100 200 28.0

2. 25 70 220 40.0

1.919 2 311 47.3

1.837 23 222 49.6

1.591 10 400 57.9

1.460 <1 331 63.7

1.423 27 420 65.5

1.299 19 422 72.7

1.225 <1 511 77.9

1.125 6 440 86.4

1.076 <1 531 91.4

1.061 12 600 93.1

1.006 9 620 99.9

0,971 <1 533 105.0

.960 8 622 106.8

.919 3 444 113.9

.891 <1 711 119.6

.883 7 640 121.5

.851 15 642 129.8

.829 <1 731 136.7

.796 2 800 151.0
Yttrium Sulfide, YS (cubic) Zirconium N.'tride, ZiN ^f,ubic)

Structural data. Picon and Patrie (1956) determined that yttrium sulfide is isostructural with

sodium chloride with the space group Oh-Fm3m

(No. 225) and 4(YS) per unit cell. The atoms oc- cupy the special positions:

Y: 0 0 0 ;F.C.

2' 'k i ;F.C.

The lattice constant used in this calculated pattern

o is a = 5.466 A as reported by Flahaud and Guittard

(1956). landelli (1961) reports a value a = 5.493 A,

The calculated density is 4.920 g/cm^, based on

the value a = 5.466 A.

Calculated Pattern^

CuKa, K = 1.5405 A

d(A)

/Peak \

[height)

hkl

3 . 16 43 111 28.2

2.73 100 200 32.7

1.933 61 220 47.0

1.648 16 311 55.7

1. 578 19 222 58.4

1. 366 8 400 68.6

1.254 6 331 75.8

1. 222 21 420 78.1

1. 116 16 422 87.3

1.05 2 4 511 94.2

0 . 965 6 440 105.7

.924 5 531 113.0

.911 13 600 115.4

. 864 10 620 125.1

.834 2 533 135.0

.824 10 622 138.4

.789 4 444 155.0.

Powder diffraction file card. No. 2-0956, General Electric Co.

Additional published patterns. Becker andEbert

(1925) and van Arkel (1924).

Structural data. Becker and Ebert (1925) determined that zirconium nitride is isostructural with

sodium chloride with the space group Oh-FmSm

(No, 225) and 4(ZrN) per unit cell. The atoms oc- cupy the special positions:

Zr: 0 0 0 ;F.C.

N: s" s"

"5" iF.C.

The lattice constant used in this calculated pattern

is a = 4.575 A as reported by Baker (1958).

The calculated density is 7.298 g/cm\

I

j

i

Calculated Pattern

CuKa, \ = 1,5405 A

d(A)

/Peak \

[height)

hkl 2e(")

2.64 100 111 33.91

2.29 85 200 39.35

1.618 47 220 56.87

1.379 32 311 67.89

1.321 13 222 71.35

1.144 6 400 84. 67

1.050 13 331 94.42

1.023 18 420 97 . 69

0.934 15 422 111.1

.880 13 511 122. D

.839 8 440 144.5

I

80
Zirconium Oxide, ZrO (cubic)

Structural data. Samsonov (1957) determined

that zirconium oxide is isostructural with sodium

chloride with the space group Oh-Fm3m (No. 225)

and 4(ZrO) per unit cell. The atoms occupy the

special positions:

Zr: 0 0 0 ;F.C.

The lattice constant used in this calculated pattern

is a = 4.62 A as reported by Schonberg (1954)

The calculated density is 7.22 g/cm'.

Elliott (1965) describes the compound as unstable.

Calculated Pattern

CuKa, K - 1.5405 A

d(A} /Peak \

[height)

hkl

2.67 100 111 33.6

2.31 98 200 39.0

1.63 55 220 56.3

1.39 33 311 67.1

1.33 15 222 70.6

1.15 7 400 83.5

1.06 13 331 93.2

1.03 20 420 96.4

0.943 17 422 109.5

.889 13 511 120.1

.817 8 440 141.2

References

Baenziger, N. C. and Moriarty, J. L., Jr. (1961). Gadolinium

and dysprosium intermetallic phases. II. Laves phases

and other structure types. Acta Cryst. 14, 948-950.

Baker, T. W. (1958). The coefficient of thermal expansion of zirconium nitride. Acta Cryst. 11, 300. Becker, K. and Ebert, F. (1925). Die Kristallstruktur einiger

binarer Carbide und Nitride, Z. Physik. 31, 268-272.

Brixner, L. H. (1960). Structure and electrical properties of some new rare earth arsenides, antimonides, and tel- lurides. J. Inorg. Nucl. Chem. 15, 199. Broch, E. (1927). Prazisionsbestimmungen der Gitterkonstanten der Verbindungen MgO, MgS, MgSe, MnO, und MnSe,

Z. Physik. Chem. 127 , 446-454.

Bruzzone, G., and Ferro Ruggiero, A. (1962). Struttura di alcuna composti intermetallici dell'Ittrio. I. Composti

con Cu, Ag, Au, Zn, Cd, Hg, Atti Accad. Nazi. Lincei

Rend. Classe Sci. Fis. Mat. Nat. 33, 312-314.

Chao, C. C, Luo, H. L., and Duwez, P. (1963). CsCl-type

compounds ih -binary alloys of rare-earth metals with

gold and silver, J. Appl. Phys. 34, No. 7, 1971. Dwight, A. E. (1959a). Occurrence of the CsCl type structure

in transition element alloys, U. S. At. Energy Comm.

ANL-6099. 94. Dwight, A. E. (1959 b). CsCl-type equiatomic phases in binary

alloys in transition elements. Trans. AIME 215, 283. Dwight, A. E. (1961). Equiatomic phases, U. S. At. Energy

Comm. ANL-6516, 257.

Elliott, R. P. (1965). "Constitution of Binary Alloys, First

Supplement,' 708-710. (McGraw -Hill Book Co., N.Y.)

Ferro, R, (1954). Several selenium and tellurium compounds

of uranium, Z. Anorg. AUgem. Chem. 275, 320. Ferro, R. (1955). Ricerche sulle leghe dei metalli nobili con

gli elementi piu electropositivi. I. Leghe del neodimio

ed uranio coll' argento, Gazz. Chim. Ital. 85, 888.

Flahaud, J. and Guittard, M. (1956). Sur les sous-sulfures

de ce'rium et d'yttrium, Compt. Rend. 242, 1318-1321.

Guittard, M. and Benacerraf, A. (1959). The selenides, MSe,

of the lanthanides from lanthanum to gadolinium, Compt.

Rend. 248, 2589. Haase, M. (1927). Messung undVergleichder optischen Eigenshaften, der hochlichtbrechenden, isostrukturellen Verbindungen von Mg, Ca, Sr, Ba mit O, S, Se, und Te, Z.

Krist. 65, 509-587.

landelli, A. and Botti, R. (1936). On the crystal structure of compounds of the rare earths with metalloids of the V

group. Phosphides of La, Ce, and Pr, Atti Accad. Nazi.

Lincei Rend. Classe Sci. Fis. Mat. Nat. 24, 459.

landelli, A. and Botti, E. (1937). Sulla structura cristallina

di Alcuni composti intermetallici delle terre rare, Gazz.

Chim. Ital. 67 , 638.

landelli, A. (1955). Monochalcogenides of lanthanum, cerium,

praseodymium, and neodymium. Ibid. 85, 881.

landelli, A. (1960). Su alcuni composti intermetallici e semimetallici del Gadolinio, Atti Accad. Nazi. Lincei Rend.

Classe Sci. Fis, Mat. Nat. 29, 62-69.

landeUi, A. (1961) . Cell dimensions and magnetical susceptibilities of the MX compounds of rare earths with

P, As, Sb, Bi, S, Se, Te, Rare Earth Research (ed. E.V.

Kleber), 135-141, (Macmillan Co., N. Y.). Juza, R. and Mehne A. (1959). Metal amides and nitrides

XXXVI. Crystal structure of the alkali metal amides,

Z. Anorg. AUgem. Chem. 299, 33. Khodadad, P. (1961). Composes du systfeme uranium -selenium. Preparations. Proprietes physiques etchimiques,

BulL Soc. Chim. France 1961, 133-136.

Miller. E., Komarek, K,, and Cadoff, I. (1960). Preparation

and properties of barium, barium telluride, and barium

selenide. Trans. AIME 218, 978. Miller, J. F., Matson, L. K., andHimes, R. C. (1962). Studies on the selenides and telluride s of selected rare-earth

metals. Rare Earth Research, (ed. Nachman and Lundin),

233-248. (Gordon and Breach, Science Publishers Inc., New York).

Misch, L. (1936). Kristallstrukturelle Untersuchungen von

einigen Berylliumlegierungen, Metallwirtschaft 15, 163. Moriarty, J. L., Humphreys, J. E., Gordon, N. C, and Baenziger, N. C. (1966). X-ray examination of some rareearth containing binary alloy systems. Acta Cryst. 21, 840-841.

Nowotny, H. (1942). Die Kristallstrukturen von NljCe, NisLa,

NisCa, CusLa, CusCa, ZnjLa, ZnjCa, Ni2Ce, MgCe,

MgLa, und MgSr, Z. Metallkunde 34, 247. Oftedal, I. (1927). Die Gitterkonstanten von CaO, CaS, CaSe,

und CaTe, Z. Physik. Chem. 128, 154-158. Olcese, G. L. (1961). Structure and magnetic properties of MX compounds from terbium, and metalloids of the groups

V and VI, Atti Accad. Nazi. Lincei Rend. Classe Sci. Fis. Mat. Nat. 30, 195. Rossi, A. (1934). La struttura cristallina delle fasi LaMg e CeMg, Gazz. Chim. Ital. 64, 774. Rundle, R. E., Wilson, A. S., Baenzinger, N. C, and Trevebaugh, A. D. (1958). X-ray analysis of the uraniumcarbon system, U.S. Atomic Energy Comm. Rept. TID5290, Book 1, 67. Samsonov, G. V. (1957). Intermediate stages in the formation

of carbides of titanium, zirconium, vanadium, niobium,

and tantalum, Ukrain. Khim. Zhur. 23, 287. Schonberg, N. (1954). An x-ray investigation of the tantalumoxygen system. Acta Chem. Scand. 8, 240. Schonberg, N. (1954). On metallic phases in the Ti-P-0 and

Zr-P-0 systems, Acta Chem. Scand. 8, 1460-1465.

Senff, H. and Klemm, W. (1939). Measurements on di- and

quadrivalent compounds of the rare earths, IX, Yb

chalcogenides, Z. Anorg. All gem. Chem. 242, 92. Slattery, M. K. (1925). The crystal structure of metallic tel- luriiun and selenium and of strontium and barium sel- enide, Phys. Rev. 25, 333. van Arkel, V. E. (1924). Kristalbouw en physiche eigenschappen, Physica 4, 286-301.

Walline, R. E. and Wallace, W. E. (1964). Magnetic characteristics of lanthanide- silver compounds having CsCl structure, J. Chem. Phys. 41, No. 11, 3285-3288.

Worsham, J. E., Jr., WUkerson, M. K.,andShull, C. G. (1957). Neutron diffraction observations on the palladium -hydrogen and palladium-deuterium systems, Phys. Chem.

Solids 3, 303.

CUMULATIVE INDEX TO CIRCULAR 539, VOLUMES 1, 2, 3, 4, 5, 6,

7, 8, 9, 10, MONOGRAPH 25, SECTIONS 1, 2, 3, 4, and 5^

Vol. or sec. Page

Aluminum, Al 1 11 Aluminum antimony, AlSb 4 72

Aluminum calcium sulfate hydrate (ettringite), AljO,.6CaO-3S03-31HjO 8 3 Aluminum chloride hexahydrate (chloraluminite), AlCl,-6HjO 7 3 Aluminum fluosilicate, topaz, AljSiO^(P,OH)2 Im 4 Aluminum metaphosphate, AlCPO,), 2m 3 Aluminum orthophosphate (berlinite), AlPO,

(trigonal) 10 3

Aluminum orthophosphate, AlPO^ (orthorhombic) 10 4 Aluminum oxide, (corundum), alpha Al^O, .... 9 3 .Aluminum oxide monohydrate (bohmite), alpha

AljO,-HjO 3 38 Aluminum oxide monohydrate, diaspore, beta

AljO,-HjO 3 41 Aluminum silicate (mullite) 3Al203-2Si02 .... 3m 3 Ammonium aluminum sulfate dodecahydrate

(teschermigite), NH,Al(SOJj-12HjO 6 3 Ammonium azide, NH^Nj 9 4 Ammonium bicarbonate (teschemacherite),

(NHJHCO, 9 5 Ammonium bromide, NH,Br 2 49

Ammonium bromoosmate, (NH^)jOsBr5 3 71 Ammonium bromoplatinate, (NH<)jPtBr5 9 6 Ammonium bromoselenate, (NH^)2SeBr, 8 4 Ammonium bromotellurate, (NH,)jTeBr, 8 5 Ammonium cadmium trichloride, NH^CdCl, ... 5m 6 Ammonium chloride (sal-ammoniac), NH^Cl ... 1 59

Ammonium chloroiridate, (NHJJrCl, 8 6

Ammonium chloroosmate, (NH<)20sCl, Im 6 Ammonium chloropalladate, (NH^)jPdClj 8 7 Ammonium chloropalladite, (NH^)jPdCl^ 6 6 Ammonium chloroplatinate, (NH,)jPtCl, 5 3 Ammonium chlorostannate (NH4)jSnClj 5 4 Ammonium chlorotellurate, (NH,)jTeClj 8 8

Ammonium chromium sulfate dodecahydrate,

NH„Cr(SO„)j.l2HjO 6 7 Ammonium dihydrogen phosphate, NH^H^PO^ 4 64

Ammonium fluobeiyllate, (NH4)jBeP, 3m 5 Ammonium fluoborate, NH^BF^ 3m 6 Ammonium fluogermanate, (NH<)2GePj 6 8

Ammonium fluosilicate (cryptohalite),

(NH,),SiP. 5 5 Ammonium gallium sulfate dodecahydrate,

NH,Ga(SOJ2- 12HjO 6 9 Ammonium iodide, NH,I 4 56

Ammonium iron sulfate dodecahydrate,

NH,Pe(SO^)j-12HjO 6 10 Ammonium manganese(II) trifluoride, NH^MnP, 5m 8

Ammonium mercury(II) trichloride, NH^HgCl, 5m 9 Ammonium metavanadate, NH,VOj 8 9 Ammonium nitrate (ammonia-niter), NH^NO, . . 7 4 Ammonium oxalate monohydrate (oxammite)

(NH,),CjO,.HjO 7 5 Ammonium perchlorate, NH^CIO, (orthorhombic) 7 6

Ammonium perrhenate, NH^ReO, 9 7

'Further work on this program is in progress, and it is antic- ipated that additional sections will be issued. Therefore, the ac- 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 phosphomolybdate tetrahydrate,

(NH^),PO^(MoO,)„-4HjO 8 10 Ammonium sulfate (mascagnite), (NH,)jS04

(revised) 9 8 Ammonium zirconium fluoride, (NE^),ZtF^ .... 6 14 Antimony, Sb 3 14 Antimony(III) fluoride, SbF, 2m 4

Antimony(IIl) iodide, Sbl, 6 16 Antimony(III) oxide (senarmontite), SbjO,

(cubic) 3 31 Antimony(III) oxide, valentinite, SbjO,

(orthorhombic) 10 6 Antimony(IV) oxide (cervantite), SbjO< 10 8

Antimony(V) oxide, SbjO, 10 10 Antimony scandium, SbSc 4m 44

Antimony selenide, Sb^Se, 3m 7 Antimony (III) sulfide (stibnite), Sb^S, 5 6

Antimony telluride, Sb^Te, 3m 8 Antimony terbium, SbTb 5m 61

Antimony thorium, SbTh 4m 44

Antimony thulium, SbTm 4m 45

Antimony ytterbium, SbYb 4m 45

Antimony yttrium, SbY 4m 46

Arsenic, As 3 6

Arsenic(III) iodide, Asl, 6 17 Arsenic trioxide (arsenolite), As^O, (cubic) . . 1 51 Arsenic trioxide, claudetite, As^O, (monoclinic) 3m 9

Barium, Ba 4 7 Barium aluminum oxide, BaAljO^ 5m 11 Barium arsenate, Ba,(AsO,)j 2m 6

Barium boron oxide, high form, BaBjO^ 4m 4 Barium boron oxide, BaB^O, 4m 6

Barium bromide monohydrate, BaBrj-H^O 3m 10 Barium carbonate (witherite), BaCO, (orthorhombic) 2 54

Barium carbonate, BaCOj(cubic) at 1075 °C . . 10 11 Barium fluoride, BaP^ 1 70

Barium fluosilicate, BaSiP^ 4m 7 Barium molybdate, BaMoO, 7 7 Barium nitrate (nitrobarite), Ba(NO,)2 1 81

Barium perchlorate trihydrate, Ba(C10<)j-3HjO 2m 7 Barium peroxide, BaO, 6 18 Barium selenide, BaSe 5m 61

Barium stannate, BaSnO, 3m 11 Barium sulfate (barite), BaSO, 3 65

Barium sulfide, BaS 7 8

Barium titanate, BaTiO, 3 45

Barium tungstate, BaWO< 7 9 Barium zirconate, BaZrO, 5 8

Beryllium aluminum oxide (chrysoberyl),

BeAljO„ 9 10 Beryllium aluminum silicate, beryl,

Be,Al2(SiO,), 9 13 Beryllium chromium oxide, BeCrjO^ 10 12 Beryllium cobalt, BeCo 5m 62

Beryllium germanate, BejGeO, 10 13 Beryllium orthosilicate, phenacite, BeSijO, . . 8 11 Beryllium oxide (bromellite), BeO 1 36

Beryllium palladium, BePd 5m 62

Bismuth, Bi 3 20

Bismuth cerium, BiCe 4m 46

Bismuth dysprosium, BiDy 4m 47

Bismuth erbium, BiEr 4m 47

Bismuth fluoride, BiP, Im 7 Bismuth holmium, BiHo 4m 48

83
CUMULATIVE EVDEX-Continued

Vol. or sec. Page

Bisn)uth(III) iodide, Bil, 6 20

Bismuth lanthanum, BiLa 4m 48

Bismuth neodymium, BiNd 4m 49

Bismuth orthophosphate, BiPO^ (monoclinic) 3m 11 Bismuth orthophosphate, BiPO^ (trigonal) .... 3m 13 Bismuth orthovanadate, low form, BiVO,

(tetragonal) 3m 14 Bismuth orthovanadate, high form, BiVO^

(monoclinic) 3m 14 Bismuth oxybromide, BiOBr 8 14 Bismuth oxychloride (bismoclite), BiOCl .... 4 54

Bismuth oxyiodide, BiOI 9 16 Bismuth praseodymium, BiPr 4m 49

Bismuth sulfide (bismuthinite), BijS, (revised) 5m 13 Bismuth telluride, BiTe 4m 50

Bismuth telluride (tellurobismuthite), BijTe, 3m 16 Bismuth trioxide (bismite), alpha BijO, 3 16 Cadmium, Cd 3 10 Cadmium bromide, CdBr, 9 17 Cadmium carbonate (otavite), CdCO, 7 11 Cadmium cerium, CdCe 5m 63

Cadmium chloride, CdClj 9 18 Cadmium chromite, CdCr^O^ 5m 16

Cadmium cyanide, Cd(CN)j 2m 8

Cadmium lanthanum, CdLa 5m 63

Cadmium molybdate, CdMoO^ 6 21 Cadmium oxide, CdO 2 27

Cadmium perchlorate hexahydrate,

Cd(C10,)j.6HjO 3m 19 Cadmium praseodymium, CdPr 5m 64

Cadmium selenide, CdSe (hexagonal) 7 12 Cadmium sulfate, CdSO, 3m 20

Cadmium sulfide (greenockite), CdS 4 15 Cadmium telluride, CdTe 3m 21 Cadmium tungstate, CdWO^ 2m 8

tri-Calcium aluminate, 3CaO-Al,03 5 10 Calcium aluminate, 12CaO-7:Al,03 9 20 Calcium aluminum germanate, CajAlj(Ge04)5 10 15 Calcium bromide hexahydrate, CaBrj.6HjO ... 8 15

Calcium carbonate (aragonite), CaCO, (or- thorhombic) 3 53

Calcium carbonate (calcite) CaCO, (hexagonal) 2 51

Calcium chromate, CaCrO^ 7 13 Calcium chromium germanate, CajCrj(GeO,)3 10 16 Calcium chromium silicate (uvarovite),

Ca,Crj(SiO,), 10 17 Calcium fluoride (fluorite), CaF, 1 69

Calcium fluoride phosphate (fluorapatite),

Ca5F(PO«), 3m 22

Calcium formate, Ca(HCOj)j 8 16 Calcium gallium germanate, Ca,Ga2(Ge04)5 ... 10 18 Calcium hydroxide (portlandite), Ca(OH)j .... 1 58

Calcium iron germanate, Ca,Fej(Ge04)j 10 19 Calcium iron silicate (andradite),

CajFejSijQj 9 22 Calcium magnesium silicate (diopside),

CaMg(SiO,)j 5m 17 Calcium molybdate (powellite), CaMoO^ 6 22 Calcium nitrate, Ca (NOj)j 7 14 Calcium oxide, CaO 1 43

Calcium selenide, CaSe 5m 64

Calcium sulfate (anhydrite), CaSO, 4 65

Calcium sulfide (oldhamite), CaS 7 15

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

Vol. or sec. Page

4m 50

Calcium tungstate, scheelite, CaWO^ 6 23

Carbon, diamond, C 2 5 Cerium, antimony CeSb 4m 40

4m 8 4m 51

-,_v. /TTT \ ntilnM^n /^nf~*^ Im 8

*n 1 -ft »^ / TT T \ 4n 1 V A n« ^ A n 8 17 5m 65

Cerium magnesium nitrate 24-hydrate,

CejMg3(N03),j -241120 10 20 Cerium niobium titanium oxide (eschynite).

3m 24

4m 51

1 56

4m 52 Im 9 Cerium zinc, CeZn 5m 65

Cesium aluminum sulfate dodecahydrate.

CsA^SO^)^- 12njO 6 25

8 18 Cesium bromide, CsBr 3 49

Cesium bromoosmate(IV), Cs^OsBr, 2m 10 8 19 8 20

Cesium bromotellurate, CSjTeBr, 9 24 1 Cesium cadmium trichloride, CsCdCl3 )r (hexagonal) 5m in f 19 ' 5m 21

8 20 ' Cesium chloride, CsCl 2 44 1 Cesium chloroosmate(IV), CSjOsCl, 2m

5

5 Cesium chromate, CSjCrO^ 3m 25

Cesium chromium sulfate dodecahydrate. 1 CsCr(S04)j-12HjO 8 21 5m 22

Cesium dichloroiodide, CsICl, 3 50

Cesium fluoantimonate, CsSbF, 4m 9 Cesium fluoborate, CsBF„ 8 22

5 17

6 nn ^ Cesium fluoride, CsF 3m 26

Cesium fluosilicate, CSjSiF, 5 19

Cesium gallium sulfate dodecahydrate.

8 23

j Cesium iodide, Csl 4 Cesium iron sulfate dodecahydrate,

CsFe(S04)j-12HjO 6

Cesium lead(II) trichloride, CsPbCl,

(tetragonal) 5m 24

{ Cesium nitrate, CsNO, 9 25

Cesium perchlorate, CsClO^, (orthorhombic) Im 10

J Cesium sulfate Cs^SO^ 7 17 i Cesium vanadium sulfate dodecahydrate,

CsV(S04)j-12HjO Im n\

Chromium, Cr 5 20

Chromium(III) fluoride trihydrate, CrF3-3HjO 5m 25,

Chromium orthophosphate, alpha, CrPO, .... 2m in' 1226j

22;

Chromium orthophosphate, beta, CrPO^ 9 Chromium(III) oxide, CrjO, 5D Cobalt, Co (cubic) 4m 10

9 27 5m 26

84
CUMULATIVE EVDEX-Continued

Vol. or sec. Page

Cobalt arsenide (skutterudite), CoAs, 10 21

Cobalt(II) carbonate (spherocobaltite),

Coco, 10 24

Cobalt diarsenide, CoASj (revised) 4m 10 Cobalt fluosilicate hexahydrate,

CoSiFj.6HjO 3m 27 Cobalt gallate, CoGajO^ 10 27

Cobalt germanate, COjGeO^ 10 27 Cobalt iodide, Col^ 4m 52

Cobalt iron arsenide (safflorite), CoFeAs^ ... 10 28

Cobalt mercury thiocyanate, Co[Hg(CNS)J ... 2m 13

Cobalt(II) oxide, CoO 9 28

Cobalt(lI, III) oxide, Co,0, 9 29 Cobalt perchlorate hexahydrate,

Co(C10Jj.6HjO .3m 28

Cobalt silicate, COjSiO, (orthorhombic) 4m 11 Cobalt sulfate, beta, CoSO, 2m 14 Cobalt titanate, CoTiO, 4m 13 Cobalt tungstate, CoWO< 4m 1,3 Copper, Cu 1 15 Copper antimony oxide, CuSbjO^ 5m 27

Copper(l) bromide, CuBr ,4 36

Copper carbonate, basic, azurite,

CU3(OH),(C03)2 10 30

Copper carbonate, basic, (malachite),

CU2(OH),C03 10 31 Copper(I) chloride (mantokite), CuCl 10 35

Copper(l) iodide (marchite), Cul 4 38

Copper (I) oxide (cuprite), Cu^O 2 23

Copper(II) oxide (tenorite), CuO 1 49

Copper sulfate (chalcocyanite), CuSO, 3m 29

Copper(ll) sulfide (covellite), CuS 4 13 Dysprosium antimony, DySb 4m 41 Dysprosium arsenate, DyAsO, 3m 30

Dysprosium arsenide, DyAs 4m 53

Dysprosium gallium oxide, DyjGa,(GaOJ, .... 2m 15 Dysprosium nitride, DyN 4m 53

Dysprosium sesquioxide, Dy^Oj 9 30

Dysprosium telluride, DyTe 4m 54

Dysprosium vanadate, DyVO^ 4m 15 Erbium antimony, ErSb 4m 41

Erbium arsenate, ErAsO, 3m 31

Erbium arsenide, ErAs 4m 54

Erbium gallium oxide, ErjGaj(GaOj3 Im 12 Erbium manganite, ErMnO, 2m 16

Erbium nitride, ErN 4m 55 Erbium phosphate, ErPO^ 9 ,31 Erbium sesquioxide, ErjO, 8 25

Erbium telluride, ErTe 4m 55 Erbium vanadate, ErVO< . . . ; 5m 29 Europium arsenate, EuAsO^ 3m 32

Europium(III) chloride, EuCl, Im 13 Europium gallium oxide, Eu,Ga,(GaO^, 2m 17 Europium nitride, EuN 4m 56 Europium oxide, EuO 4m 56

Europium oxychloride, EuOCl Im 13 Europium(III) vanadate, EuVO^ 4m 16 Gadolinium antimony, GdSb 4m 42

Gadolinium arsenate, GdAsO^ 4m 17 Gadolinium arsenide, GdAs 4m 57 Gadolinium fluoride, GdF, Im 14 Gadolinium gallium oxide, Gd3Gaj(GaO,), .... 2m 18 Gadolinium indium, Gdin 5m 67

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

Vol. or sec. Page

Gadolinium nitride, GdN 4m 57

Gadolinium oxide, Gd203 Im 16

Gadolinium oxychloride, GdOCl Im 17 Gadolinium vanadate, GdVO, 5m 30

Gallium, Ga 2 9

Gallium arsenide, GaAs 3m 33

Gallium antimonide, GaSb 6 30

Gallium oxide, alpha, Ga^O, 4 25

Gallium phosphate («-quartz type), GaPO„. .. . 8 27

Germanium, Ge 1 18 Germanium dioxide, GeO^ (hexagonal)

(low form) 1 51

Germanium dioxide, GeOj (tetragonal)

(high form) 8 28

Germanium iodide, Gelj 4m 58

Germanium(lV) iodide, Gel^ 5 25

Gold, Au 1 33

.Gold antimony 1:2 (aurostibite), AuSbj 7 18 Gold dysprosium, AuDy 5m 66

Gold(I) cyanide, AuCN 10 33

Gold holmium, AuHo 5m 68

Gold tin, 1:1 AuSn 7 19 Hafnium, Hf 3 18 Holmium arsenate, HoAsO, 3m 34

Holmium ethylsulfate nonahydrate,

Ho[(C2H5)SOj,-9Hp Im 18 Holmium nitride, HoN 4m 58

Holmium selenide, HoSe 4m 59

Holmium sesquioxide, HO2O3 9 32

Holmium vanadate, HoVO^ 4m 18 Indium, In 3 12 Indium antimony, InSb 4 73

Indium arsenide, InAs ,3m 35

Indium oxide, Infi, 5 26

Indium phosphate, InPO, 8 29

Iodic acid, HIO3 5 28

Iodine, Ij ,3 16

Iridium , Ir

,

4 9 Iridium dioxide, IrOj ,4m 19

Iron, alpha Fe 4 3 Iron arsenide, FeAs Im 19 Iron arsenide (loellingite), FeAs, 10 34

Iron bromide, FeBr^ ,4m 59

Iron iodide, Felj 4m 60

Iron(II,III) oxide (magnetite), Fe30, 5m 31

Iron sulfide (pyrite), FeS^ 5 29

Lanthanum antimony, LaSb 4m 42

Lanthanum arsenate, LaAsO^ 3m 36

Lanthanum arsenide, LaAs 4m 60

Lanthanum borate, LaBO, Im 20

Lanthanum chloride, LaCl, Im 20

Lanthanum fluoride, LaF, 7 21 Lanthanum magnesium, LaMg 5m 69

Lanthanum magnesium nitrate 24-hydrate,

LajMg3(N03),j-24HjO Im 22

Lanthanum niobium titanium oxide, LaNbTiO, 3m ,37 Lanthanum nitride, LaN 4m 61

Lanthanum oxide, La^O, 3 33

Lanthanum oxychloride, LaOCl 7 22

Lanthanum phosphide, LaP 5m 69

Lanthanum selenide, LaSe 4m 61

Lanthanum zinc, LaZn 5m 70

Lead, Pb 1 34

Lead boron oxide, PbB„0, 4m 19 Lead bromide, PhBv^ 2 47

Lead carbonate (cerrussite), PbCO, 2 56

85
CUMULATIVE EVDEX-Continued

Vol. or sec. Page

Lead chloride (cotunnite), PbCl2 2 45

Lead formate, Pb(HCOj)j 8 30

Lead fluochloride (matlockite), PbPCl 1 76

Lead fluoride, alpha PbF, (orthorhombic) .... 5 31

Lead fluoride, beta PbFj (cubic) 5 33

Lead(ir) iodide, Pblj 5 34

Lead molybdate (wulfenite), PbMoO, 7 23 Lead monoxide (litharge), PbO (red) tetragonal 2 30

Lead monoxide (massicot), PbO (yellow)

(orthorhombic) 2 32

Lead nitrate, PWNO,)^ 5 36

Leaddl, III) oxide (minium), PbjO^ 8 32

Lead oxybromide, PbjOjBr^ 5m 32

Lead phosphate hydrate, Pb5(PO<),OH 8 33

Lead selenide (clausthalite), PbSe 5 38

Lead sulfate (anglesite), PbSO« .3 67

Lead sulfide (galena), PbS 2 18 Lead titanate, PbTiO, 5 39

Lead tungstate (stolzite), PbW04 (tetragonal)

(revised) 5m 34

Lithium arsenate, LijAsO, 2m 19 Lithium barium trifluoride, LiBaF, 5m 35

Lithium bromide, LiBr _ 4 30

Lithium chloride, LiCl 1 62

Lithium fluoride, Li F 1 61 Lithium iodate, LilO, 7 26 Lithium molybdate, Li^MoO, (trigonal) Im 23 Lithium oxide, LijO Im 25

Lithium nitrate, LiNOj 7 27

Lithium perchlorate trihydrate, LiC10,-3H,0 8 ,34 Lithium phosphate, low form (lithiophosphate), Li3PO, (orthorhombic) revised 4m 21 Lithium phosphate, high form, LijPO, 3m 39

Lithium sulfate monohydrate, LijSO,-H20 .... 4m 22 Lithium trimetaphosphate trihydrate,

LijPjO.-SHjO 2m 20

Lithium tungstate, LijWO< (trigonal) Im 25

Lithium tungstate hemihydrate, LijWO.-iAH^O 2m 20 Lutetium arsenate, LuAsO^ 5m 36

Lutetium gallium oxide, LUjGa,(GaOJ3 2m 22

Lutetium manganite, LuMnO, 2m 23

Lutetium nitride, LuN 4m 62

Lutetium oxide, LUjO, Im 27

Lutetium vanadate, LuVO, 5m 37

Magnesium, Mg 1 10 Magnesium aluminate (spinel), MgAl^O^ 2 35

Magnesium aluminum silicate (pyrope),

MgjAlj(SiO^)3 4m 24 Magnesium aluminum silicate (low cordierite), MgjAl^SijOjj (orthorhombic) Im 28

Magnesium aluminum silicate (high cordierite), Mg^Al^SijOij (hexagonal) Im 29 Magnesium ammonium phosphate hexahydrate (struvite), MgNH,PO^-6HjO 3m 41 Magnesium boron oxide, MgjBjO, (triclinic) . . 4m 25

Magnesium bromide, MgBr, 4m 62

Magnesium carbonate (magnesite), MgC03 .... 7 28 Magnesium chromite (picrochromite),

MgCrjO^ 9 34

Magnesium fluoride (sellaite), MgFj 4 33 Magnesium gallate, MgGa,0, 10 .36 Magnesium germanate, MgjGeO^ (cubic) 10 ,37

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

86

Vol. or sec. Page

Magnesium germanate, MgjGeO, (orthorhombic) 10 38

Magnesium hydroxide (brucite), Mg(OH)2 6 30

Magnesium oxide (periclase), MgO 1 37

Magnesium selenide, MgSe 5m 70

Magnesium silicate, enstatite, MgSiOj 6 32

Magnesium silicate (forsterite), Mg^SiO^ 1 83

Magnesium silicate fluoride (norbergite).

MgjSiO,.MgFj 10 39

Magnesium silicate fluoride (humite).

SMgjSiO^-MgPj Im 30

Magnesium sulfate heptahydrate (epsomite),

MgSO,-7HjO 7 30

Magnesium sulfide, MgS 7 31 Magnesium tin, MgjSn 5 41 Magnesium titanate (geikielite), MgTiOj 5 43 Magnesium tungstate, MgWO< 1 84

Manganese aluminate (galaxite), MnAljO, . .

9 35

Manganese bromide, MnBr^ 4m 63

Manganese(II) carbonate (rhodochrosite).

MnCO, 7 32

Manganese ferrite (jacobsite), MnFe^O, 9 36

Manganese iodide, Mnl, 4m 63

Manganese(n) oxide (manganosite), MnO .... 5 45

Manganese(III) oxide (partridgeite), Mnfi, . . 9 37 Manganese selenide, MnSe 10 41 Manganese sulfide (alabandite), alpha MnS.

,4 " 1 Manganese(II) tungstate (huebnerite), MnWO^ 2m 24 I Mercury(I) bromide, HgjBrj 7 ,33

1 Mercury(I) chloride (calomel), Hg^Clj 1 72 1 Mercury(II) chloride, HgCl^ 1 73

Mercury(II) cyanide, Hg(CN)j 6 ,35 Mercury(II) fluoride, HgFj 2m 25 1 Mercury(I) iodide, Hgl 4 .49 V Mercury(II) iodide, Hglj 1 74 ' Mercury(II) oxide (montroydite) HgO (revised) 9 ,39 n Mercury(II) selenide (tiemannite), HgSe 7 ,35 I, Mercury(II) sulfide (cinnabar), HgS (hexagonal) 4 17 Mercury(II) sulfide (metacinnabar), HgS

.4 21 Metaboric acid, HBO^ (cubic) .4m 27 Molybdenum, Mo 1 20 . Molybdenum disulfide (molybdenite), MoSj .

5 :47 Molybdenum trioxide (molybdite), MoO, 3 30

Neodymium antimony, NdSb 4m 43

Neodynium arsenate, NdAsO,, 4m 28

Neodymium arsenide, NdAs 4m 6.4 :, Im ,32

i Neodymium chloride, NdCl, Im ,33 k Neodymium ethylsulfate nonahydrate. 1 Nd[(C,H5)SOj3-9H,0 9 .41 Neodymium fluoride, NdF3 8 ,36 Neodymium gallium oxide, Nd,Gaj(GaOJ, . . . . IM Ml

Neodymium oxide, NdjO, .4 26;, Neodymium oxychloride, NdOCl 8 ,37

j Neodymium selenide, NdSe -. 5m 71 Neodymium vanadate, NdVO< 4m 30 [; 4m 64 1, 1 13 Nickel aluminate, NiAl^O^ 9 42 Nickel arsenic 1:2 (rammelsbergite), NiASj. . 10 42

Nickel arsenic sulfide (gersdorffite), NiAsS. Im 35i; Nickel(II) carbonate, NiCOj (trigonal) Im 36

Nickel ferrite (trevorite), NiFe^O^ 10 44 Nickel fluosilicate hexahydrate, NiSiFj-6HjO 8 38
uifi u1^1 1 V Hi ITS li A—L.ontinued

Vol. or sec. Page

Nickel gallate, NiGajO, 10 45

Nickel germanate, NijGeO, 9 43

Nickel(II) oxide (bunsenite), NiO 1 47

Nickel sulfate, NiSO, 2m 26

Nickel sulfate hexahydrate (retgersite),

NiSO«-6H,0 7 36

Nickel sulfide, millerite, NiS Im 37 Nickel tungstate, NiWO^ 2m 27 Niobium silicide, NbSij 8 39

Osmium, Os 4 8 Palladium, Pd 1 21 Palladium hydride, PdHo.,06 5m 72

Palladium oxide, PdO 4 27 Platinum, Pt 1 31

Plutonium arsenide, PuAs 4m 65

Plutonium phosphide, PuP 4m 65

Plutonium telluride, PuTe 4m 66

Potassium acid phthalate,

CsH.(COOH)(COOK) 4m 30

Potassium aluminum sulfate dodecahydrate

(alum), KAl(S04),-12HjO 6 36

Potassium borohydride, KBH^ 9 44

Potassium bromate, KBrO, 7 38 Potassium bromide, KBr 1 66

Potassium bromoplatinate, KjPtBr, 8 40

Potassium bromoselenate, K^SeBr^ 8 41 Potassium cadmium trichloride, KCdClj 5m 38

Potassium chlorate, KCIO3 3m 42

Potassium chloride (sylvite), KCl 1 65

Potassium chloroplatinate, KjPtClj 5 49

Potassium chlororhenate, KjReCl^ 2m 28

Potassium chlororuthenate(IV), KjRuClj 10 46

Potassium chlorostannate, K^SnCl^ 6 38

Potassium chromium sulfate dodecahydrate,

KCr(S0J,-12H,0 6 39

Potassium cobaltinitrite, KfioiNO^)^ 9 45

Potassium cyanate, KCNO 7 39

Potassium cyanide, KCN .-. 1 77 Potassium dihydrogen arsenate, KH^AsO^ .... Im ,38 Potassium dihydrogen phosphate, KHjPO^ ... 3 69

Potassium fluogermanate, KjGePg 6 41 Potassium fluoplatinate, KjPtFj 6 42 Potassium fluoride, KF 1 64

Potassium fluosilicate (hieratite), KjSiF^ .... 5 50

Potassium fluotitanate, KjTiF^ 7 40

Potassium heptafluozirconate, K3ZrF, 9 46

Potassium hydroxide, KOH at 300 °C 4m 66

Potassium hydroxy-chlororuthenate,

K,Ru,Cl,oO-H,0 10 47

I Potassium iodide, KI 1 68

[ Potassium lithium sulfate, KLiSO^ .3m 43

1 Potassium nitrate (niter), KNO, 3 58

Potassium nitroso chlororuthenate,

KjRuCl.NO 2m 29

Potassium perchlorate, KC10< 6 43

Potassium perchromate, K3C1O, 3m .44 Potassium periodate, KIO^ 7 41 Potassium permanganate, KMnO< 7 42

Potassium perrhenate, KReO, 8 41 Potassium phosphomolybdate tetrahydrate,

KjPO^(Mo03),2-4HjO 8 43

I Potassium sulfate (arcanite), KjSO, 3 62

1 Potassium thiocyanate, KCNS 8 ,44

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

Vol. or sec. Page

Potassium zinc decavanadate 16 hydrate,

KjZnjV„0,3.16H,0 3m 45

Potassium zinc fluoride, KZnF3 5 51 Praseodymium antimony, PrSb 4m 43

Praseodymium arsenate, PrAsO^ 4m 32

Praseodymium arsenide, PrAs 4m 67

Praseodymium chloride, PrCl3 Im 39

Praseodymium fluoride, PrF, 5 52

Praseodymium oxychloride, PrOCl 9 47

Praseodymium sulfide, PrS 4m 67

Praseodymium vanadate, PrVOj 5m 40

Praseodymium zinc, PrZn 5m 72

Rhenium, Re 2 13 Rhodium, Rh ,3 9 Rubidium aluminum sulfate dodecahydrate,

RbAl(S0Jj-12H,0 6 44

Rubidium amide, RbNH^ 5m 73

Rubidium bromate, RbBrO, _ 8 45

Rubidium bromide, RbBr 7 43

Rubidium bromotellurate, Rb^TeBr^ 8 46

Rubidium cadmium trichloride, high form,

RbCdClj (tetragonal) 5m 43

Rubidium cadmium trichloride, low form,

RbCdCl, (orthorhombic) 5m 41

Rubidium chlorate, RbC103 8 47

Rubidium chloride, RbCl 4 41

Rubidium chloroplatinate, RbjPtClj 5 53

Rubidium chlorostannate, RbjSnCl, 6 46

Rubidium chlorotellurate, Rb^TeCl^ 8 48

Rubidium chromate, RbjCrO« 3m 46

Rubidium chromium sulfate dodecahydrate,

RbCr(S0Jj-12H,0 6 47 Rubidium fluoplatinate, Rb^PtF^ 6 48

Rubidum fluosilicate, RbjSiF^ 6 49

Rubidium iodide, Rbl 4 43

Rubidium mangaiiese(II) trifluoride, RbMnF, . . 5m 44

Rubidium nitrate, RbNO, (trigonal) 5m 45

Rubidium perchlorate, RbClO, 2m 30

Rubidium periodate, RblO^ 2m 31

Rubidium sulfate, RbjSO^ 8 48

Ruthenium, Ru 4 5 Samarium arsenate, SmAsO^ 4m .33 Samarium arsenide, Sm.As ,4m 68

Samarium chloride, SmCl, Im ,40 Samarium fluoride, SmF3 Im 41

Samarium gallium oxide, Sm,Ga,(GaOJ, Im 42

Samarium oxide, Sm^Oj (cubic) 4m 34

Samarium oxychloride, SmOCl Im 43

Samarium vanadate, SmVO^ 5m 47

Scandium arsenate, ScAsO^ ,4m ,35 Scandium arsenide, ScAs 4m 68

Scandium oxide, SCjO, 3 27 Scandium phosphate, ScPO^ 8 50

Selenium, Se 5 54

Selenium dioxide (selenolite), SeO, 1 53

Silicon, Si 2 6 Silicon dioxide, alpha or low quartz, SiO,

(hexagonal) 3 24

Silicon dioxide (alpha or low cristobalite),

SiOj (tetragonal) (revised) 10 48

Silicon dioxide (beta or high cristobalite),

SiOj (cubic) 1 42

Silver, Ag 1 23

Silver antimony sulfide, AgSbSj (cubic) 5m 48

Silver antimony sulfide (miargyrite),

:AgSbSj (mono clinic) 5m 49

87
CUMULATIVE INDEX-Continued

Vol. or sec. Page

Silver antimony sulfide (pyrargyrite), AgjSbS,

(trigonal) 5m 51

Silver antimony telluride, AgSbTe, ,3m 47

Silver arsenate, Agj AsO^ 5 56

Silver bromate, AgBrO, 5 57

Silver bromide (bromyrite), AgBr 4 46

Silver carbonate, Ag^CO, Im 44

Silver chlorate, AgClO, 7 44

Silver chloride, (cerargyrite), AgCl .4 44

Silver dysprosium, AgDy 5m 66

Silver erbium, AgEr 5m 67

Silver holmium, AgHo 5m 68

Silver iodide (iodyrite), Agl (hexagonal) 8 51

Silver iodide, gamma, Agl (cubic) 9 48

Silver molybdate, Ag^MoO, 7 .45 Silver neodymium, AgNd 5m 71

Silver nitrate, AgNO, 5 59

Silver nitrite, AgNOj 5 60

Silver oxide, Ag^O Im 45

Silver(II) oxynitrate, Ag^O.NO, 4 61

Silver periodate, AgIO< 9 49

Silver perrhenate, AgReO^ 8 53

Silver phosphate, Ag,PO< 5 62

Silver samarium, AgSm 5m 73

Silver selenate, Ag^SeO^ 2m 32

Silver subfluoride, AgjF 5m 53

Silver sulfate, AgjSO„ 7 46

Silver sulfide (argentite), AgjS 10 51 Silver terbium, AgTb 5m 74

Silver thulium, AgTm 5m 74

Silver yttrium, AgY 5m 75

Sodium acid fluoride, NaHFj 5 63

Sodium borohydride, NaBH< 9 51 Sodium bromate, NaBrO, 5 65

Sodium bromide, NaBr 3 47 Sodium carbonate monohydrate (thermonatrite),

Na^COj-HjO 8 54

Sodium chlorate, NaClO, 3 51

Sodium chloride (halite), NaCl 2 41

Sodium cyanate, NaCNO 2m .33 Sodium cyanide, NaCN (cubic) 1 78

Sodium cyanide, NaCN (orthorhombic) at 6

° C 1 79

Sodium fluoride (villiaumite), NaP 1 6.3 Sodium hexametaphosphate hexahydrate,

Na,P.0,g-6H,0 5m 5.4 Sodium hydroxide, NaOH at 300 ° C 4m 69

Sodium iodate, NalO, 7 47

Sodium iodide, Nal 4 .31 Sodium magnesium aluminum boron hydroxy

silicate, dravite, NaMgjAljB3SijOj,(OH)< .. 3m 47

Sodium molybdate, Na^MoO, Im 46

Sodium nitrate (soda-niter), NaNO, 6 50

Sodium nitrite, NaNOj 4 62

Sodium orthotungstate(IV) dihydrate,

Na2WO<-2HjO 2m 33

Sodium perchlorate, NaClO, (orthorhombic) ... 7 49

Sodium periodate, NalO, 7 48

Sodium sulfate (thenardite), Na^SO^ 2 59

Sodium sulfite, Na^SOj 3 60

Sodium tetrametaphosphate tetrahydrate,

alpha, Na,P^O,2-4HjO (monoclinic) 10 52

Sodium tetrametaphosphate tetrahydrate, beta,

Na,P^O,j-4H20 (triclinic) 2m .35

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

Vol. or sec. Page

Sodium trimetaphosphate, Na,PjO, 3m 49 Sodium trimetaphosphate monohydrate.

3m 50

Sodium tungstate, Na^WO^ Im 47

Strontium arsenate, Sr,(As04)2 2m 36

3m 53 Strontium boron oxide, SrB^O, 4m 36

Strontium bromide hexahydrate, SrBrj-6HjO . . 4 60

Strontium carbonate (strontianite), SrCO, . . . 3 56

Strontium chloride, SrCl, 4 40

Strontium chloride hexahydrate, SrClj-6HjO . 4 58

Strontium fluoride, SrFj 5 67

Strontium formate, Sr (CHOj)^ 8 55 Strontium formate dihydrate, Sr(CHOj)j-2HjO

(orthorhombic) 8 56

Strontium iodide hexahydrate, Srl^-eHjO 8 58

Strontium molybdate, SrMoO< 7 50

Strontium nitrate, Sr(NO,)j 1 80

5 68 Strontium peroxide, SrOj 6 52

Strontium sulfate (celestite), SrSO^ 2 61

7 52

Strontium telluride, SrTe 4m 69

Strontium titanate, SrTiO, 3 44

Strontium tungstate, SrWO, 7 53

Strontium zirconate, SrZrO, 9 51 Sulfamic acid, NH,SO, 7 54

9 54

1 29 Tantalum Silicide, TaSi, 8 59

1 26

Tellurium(IV) oxide (paratellurite), TeOj

(tetragonal) 7 56

Tellurium(IV) oxide, paratellurite, TeOj

(tetragonal) 10 55 ] Tellurium(IV) oxide, tellurite, TeO, (ortho1 rhombic) 9 57

1 Terbium arsenate, TbAsO, 3m 54

Terbium arsenide, TbAs 5m 75

' Terbium nitride, TbN 4m 70

5m 76 ' Terbium selenide, TbSe 5m 76 1 Terbium sulfide, TbS 5m 77 5m 77 Terbium vanadate, TbVO, 5m 56 1 Thallium aluminum sulfate dodecahydrate, 1

TlAl(SO,)j -121120 6 53 i Thallium(I) arsenate, Tl,AsO< 2m 37

Thallium(I) bromate, TlBrO, 8 60

Thallium bromide, TlBr 7 57 j Thallium(I) chlorate, TICIO, 8 61

Thallium(I) chloride, TlCl 4 51

Thallium chloroplatinate, TljPtCl, 5 70

ThalUum chlorostannate, TljSnCl, 6 54

Thallium chromate, TljCrO< 3m 54

Thallium chromium sulfate dodecahydrate.

TlCr( 804)2- 12HjO 6 55 Thallium fluosilicate, Tl2SiFj 6 56

Thallium gallium sulfate dodecahydrate.

1 TlGa(SO,)2-12H20 6 57

Thallium(I) iodate, TlIO, 8 62

Thallium(I) iodide, Til (orthorhombic) 4 53

0

CO00

Thallium(III) oxide, TI2O, 2 28 Thallium(I) percholorate, TICIO^ 2m 38 Thallium(I) phosphate, TljPO, 7 58

88
CUMULATIVE INDEX--Continued

Vol. or sec. Page

Thallium(III) phosphate, TlPO< 7 59

Thamum(I) sulfate, Tl^SO, 6 59 Thallium(I) thiocyanate, TICNS 8 63

Thallium(I) tungstate, Tl^WO, Im 48

Thorium arsenide, ThAs 4m 70

Thorium oxide (thorianite), ThOj 1 57 Thulium arsenate, TmAsO, 3m 56

Thulium arsenide, TmAs 4m 71 Thulium nitride, TmN 4m 71 Thulium sesquioxide, TmjO, 9 58 Thulium telluride, TmTe 4m 72

Thulium vanadate, TmVO< 5m 57

Tin, alpha, Sn (cubic) 2 12 Tin, beta, Sn (tetragonal) 1 24

Tin arsenide, SnAs . 4m 37

Tin(II) fluoride, SnFj 3m 51 Tin(IV) iodide, SnI, 5 71

Tin(II) oxide, SnO 4 28

Tin(IV) oxide (cassiterite), SnOj 1 54

Tin(II) telluride, SnTe 7 61

Titanium, Ti 3 1 Titanium dioxide (anatase), TiOj (tetragonal) 1 46

Titanium dioxide, brookite, TiOj (orthorhombic) 3m 57 Titanium dioxide (rutile), TiOj (tetragonal) . . 1 44

Titanium(III) oxide, TiO,.,,, 9 59

Titanium silicide, Ti, Si3 8 64

Titanium sulfide, TiS, 4m 72

Tungsten, W 1 28 Tungsten sulfide (tungstenite), WSj 8 65

Uranium dioxide (uraninite), UOj 2 33

Uranium oxide, UO 5m 78

Uranium selenide, USe 5m 78

Uranium telluride, UTe 4m 73

Urea, CO(NHj)2 7 61

Vanadium(V) oxide, vp, 8 66

Ytterbium arsenate, YbAsO< 4m 38 Ytterbium arsenide, YbAs 4m 73

Ytterbium gallium oxide, Yb5Ga,(GaOJ , Im 49

Ytterbium nitride, YbN 4m 74

/ m—Monograph 25. A mineral name in ( ) indicates a synthetic sample.

CUMULATIVE

Vol. or sec. Page

I Alabandite, MnS 4 11

] Alum, KAl(SO,)2-12HjO 6 36

Ammonia-niter, NH,NO, 7 4 Anatase, TiO^ 1 46

Andradite, CajFe^Si fi^^ 9 22

Anglesite, PbSO^ 3 67

Anhydrite, CaSO< 4 65

Aragonite, CaCO, 3 53

Argentite, Ag^S 10 51 Arcanite, K^SO, 3 62

Arsenolite, ASjO, 1 51

I Aurostibite, AuSb^ 7 18

j *Azurite, Cu,(0H),(C03), 10 30

Natural mineral, m—Monograph 25.

Vol. or sec. Page

Ytterbium selenide, YbSe 5m 79

Ytterbium telluride, YbTe 5m 79

Ytterbium( III) vanadate, YbVO, 5m 58

Yttrium arsenate, YAsO< 2m 39

Yttrium arsenide, YAs 4m 74

Yttrium gallium oxide, Y3Ga,(GaO,)3 Im 50 Yttrium oxide, Y^O, 3 28

Yttrium oxychloride, YOCl Im 51

Yttrium phosphate (xenotime), YPO< 8 67

Yttrium sulfide, YS 5m 80

Yttrium telluride, YTe 4m 75

Yttrium vanadate, YVO, 5m 59

Zinc, Zn 1 16 Zinc aluminate (gahnite), ZnAl^O^ 2 38

Zinc antimony oxide, ZnSbjO^ 4m 39

Zinc borate, ZnBjO„ 1 83

Zinc carbonate, smithsonite, ZnCO, 8 69

Zinc cyanide, Zn(CN)j 5 13

Zinc fluoride, ZnP, 6 SO Zinc fluosilicate hexahydrate, ZnSiFs.6H50 . . 8 70

Zinc germanate, ZnfieO, 10 56

Zinc iodide, Znlj 9 60

Zinc orthosilicate (willemite), Zn^SiO^ 7 62

Zinc oxide (zincite), ZnO 2 25

Zinc pyrosilicate hydrate, hemimorphite,

Zn.,(OH)2SijO,.H,0 2 62

Zinc selenide, ZnSe 3 23

Zinc sulfate (zinkosite), ZnSO< 7 64

Zinc sulfate heptahydrate (goslarite),

ZnSO,-7H30 8 71 Zinc sulfide (wurtzite), alpha ZnS (hexagonal) 2 14 Zinc sulfide (sphalerite), beta ZnS (cubic) ... 2 16 Zinc telluride, ZnTe 3m 58 Zinc tungstate (sanmartinite), ZnWO< 2m 40 Zirconium, alpha, Zr 2 11 Zirconium dihydride, ZrH, 5m 60

Zirconium iodate, ZrilO^), Im 51 Zirconium nitride, ZrN 5m 80

Zirconium oxide, ZrO 5m 81

Zirconium phosphide, ZrP 4m 75

Zirconium silicate, zircon, ZrSiO< 4 68

Zirconium sulfate tetrahydrate, ZT(&D^)^-'mfi 7 66

DVERAL INDEX

Vol. or

sec. Page

Barite, BaSO„ : 3 65

Berlinite, AlPO, 10 3 Beryl, Be,Al,(Si03)e 9 13 Bismite, (alpha) BijO, 3m 17 Bismoclite, BiOCl 4 54

Bismuthinite, BijS3 (revised) 5m 13 Bohmite, AljOj-H^O 3 38

Bromellite, BeO 1 36

Bromyrite, AgBr 4 46

Brookite, TiOj 3m 57

Brucite, Mg(OH)j 6 30

Bunsenite, NiO 1 47

Calcite, CaCOj 2 51 Calomel, HgjClj 1 72

Cassiterite, SnOj 1 54

Celestite, SrSO< 2 61

89
CUMULATIVE MINERAL EVDEX-Continued

Vol. or

sec. Page

Cerargyrite, AgCl 4 44

Cerianite, CeOj 1 56 Cerussite, PbCOj 2 56

Cervantite, Shfi^ 10 8 Chalcocyanite, CuSO, 3m 29 Chloraluminite, AlClj-eH^O 7 3 Chrysoberyl, BeAl^O, 9 10 Cinnabar, HgS 4 17 Claudetite, As^O, 3m 9 Clausthalite, PbSe 5 38

Cordierite, Mg,Al^Si,0„ (orthorhombic) Im 28

Cordierite, Mg,Al^Si50„-(hexagonal) Im 29 Corundum, Alfi, 9 3 Cotunnite, PbCi^ 2 45

Covellite, CuS 4 13

Cristabalite, (alpha or low) SiO, (revised) ... 10 48

Cristobalite, (beta or high) SiO, 1 42

Cryptohalite, (NHJ^SiF^ 5 5 Cuprite, CUjO 2 23

Diamond, C 2 5 *Diaspore, Alfi^-Efi 3 41 Diopside, CaMg(Si03)j 5m 17 *Dravite, NaMg,AljB,Sip„(OH)« 3m 47 Enstatite, MgSiO, 6 32

Epsomite, MgS0..7H20 7 30

Eschynite, CeNbTiO^ .3m 24

Ettringite, AljO,.6Ca0.3S03.31H30 8 3 Fluorapatite, Ca5F(P0,), ,3m 22

Fluorite, CaFj 1 69

Forsterite, Mg^SiO., 1 83

Galaxite, MnAljO„ 9 35

Galena, PbS 2 18 Gahnite, ZnAl^O, 2 38

Geikielite, MgTiO, 5 43

Gersdorffite, NiAsS Im 35

Goslarite, ZnSO,-7HjO 8 71 Greenockite, CdS 4 15

Halite, NaCl 2 41 *Hemimorphite, Zn.(OH)jSi50,-H,0 2 62

Hieratite, K^SiF^ 5 50

Huebnerite. MnWO„ 2m 24

Humite, 3MgjSiO,.MgFj Im 30

lodyrite, Agl 8 51 Jacobsite. MnFe^O,, 9 36 Litharge, PbO (red) 2 30 Lithiphosphate, Li3P0^ 4m 21

Loellingite, FeAs^ 10 34

Magnesite, MgCO, 7 28

Magnetite, Fe,0^ 5m 31 Malachite, CUj(OH)2CO, 10 31 Manganosite, MnO 5 45

Marshite, Cul 4 .38 Mascagnite, (NHJjSO< (revised) 9 8 Massicot, PbO (yellow) 2 32

Matlockite, PbFCl 1- 76

Metacinnabar, HgS 4 21

Miargyrite, AgSbSj 5m 49

Millerite, NiS Im 37

Minium, Pb,0^ , 8 32

Molybdenite, MoSj 5 47

Molybdite, MoO, 3 30

Montroydite, HgO (revised) 9 39

Natural mineral. M— Monagraph 25.

90

Vol. or sec Page

Mullite, 3Alj03-2SiOj 3m 3 Nantokite, CuCl 4 35

Niter, KNO, 3 58

Nitrobarite, Ba(NO,)j 1 81

Norbergite, MgjSiC-MgF^ 10 39 Oldhamite, CaS 7 15 Otavite, CdCO, 7 11 Oxammite, (NH,)2C20,-H20 7 5 Paratellurite, TeO^ 10 55 Paratellurite, TeO^ 7 56

Partridgeite, Mn^O, 9 37

Periclase, MgO 1 37 *Phenacite, Be^SiO,, 8 11 Picrochromite, MgCrjO, 9 34

Portlandite, Ca(0H)2 1 58

Powellite, CaMoO„ 6 22

Pyrite, FeS^ 5 29 Pyrope, Mg,Al2(SiO,)3 4m 24

* Quartz, SiO^ (alpha or low) 3 24 Rammelsbergite, NiASj 10 42

Retgersite, NiS0,.6H,0 7 36

Rhodochrosite, MnC03 7 32

Rutile, TiO^ 1 44

Safflorite, CoFeAs„ 10 28 Sal-ammoniac, NH^Cl 1 59

Sanmartinite, ZnWO„ 2m 40

*Scheelite, CaWO„ 6 23

Selenolite, SeO, 1 53

Sellaite, MgF^ 4 33 Senarmontite, Sbj03 3 31 Skutterudite, CoAs, 10 21 *Smithsonite, ZnCO, 8 69

Soda-niter, NaN03 6 50

Sphalerite, ZnS 2 16 Spherocobaltite, C0CO3 10 24

Spinel, MgAl.O, 2 35

Stibnite, Sb^S, 5 6

Stolzite, PbWO, (revised) 5m 34

Strontianite, SrCO, 3 56

Struvite, MgNH,PO^-6H20 3m 41

Sylvite, KCl 1 65

Tellurite, TeOj 9 57 Tellurobismuthite, BijTe, 3m 16 Tenorite, CuO 1 49

Teschemacherite, NH„HC03 9 5 Teschermigite, NH^Al(SOJj-12HjO 6 3 Thenardite, Na^SO, 2 59

Thermonatrite, NajC03-HjO 8 54

Thorianite, ThO^ 1 57 Tiemannite, HgSe 7 35 Topaz, AljSiO,(F,OH)j Im 4

Trevorite, NiFe^O, 10 44

Tungstenite, WSj 8 65

Uraninite, UO^ 2 33 Uvarovite, Ca,Crj(SiO„), 10 17 Valentinite, Sb^O, 10 6 Villiaumite, NaF 1 63

Willemite, Zn^SiO, 7 62

Witherite, BaC03 2 54

Wulfenite, PbMoO„ 7 23

Wurtzite, ZnS 2 14 Xenotime, YPO, 8 67

Zincite, ZnO 2 25

Zinkosite, ZnSO, 7 64

Zircon, ZrSiO, 4 68

* U.S. GOVERNMENT PRINTING OFFICE : 1967 0—272-265

i

i

\

i

U.S. DEPARTMENT OF COMMERCE

WASHINGTON, D.C. 20230

POSTAGE AND FEES PAID

U.S. DEPARTMENT OF COMMERCE

OFFICIAL BUSINESS