1

1 AUG 2 n mi ^ -r^-n

NBS MONOGRAPH 25-SECTION 3 fltt^^^'^ '^^ tak^Wfl^Ths library.

Standard X-ray Diffraction

Powder Patterns

U.S. DEPARTMENT OF COMMERCE

NATIONAL BUREAU OF STANDARDS
THE NATIONAL BUREAU OF STANDARDS

The National Bureau of Standards is a principal 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. Its responsibilities include development and maintenance of the national standards of measurement, and the provisions of means for making

measurements consistent with those standards; determination of physical constants and properties of materials; development of methods for testing materials, mechanisms, and structures,

and making such tests as may be necessary, particularly for government agencies; cooperation

in the establishment of standard practices for incorporation in codes and specifications; advisory service to government agencies on scientific and technical problems; invention and

development of devices to serve special needs of the government; assistance to industry, business, and consumers in the development and accceptance of commercial standards and simplified

trade practice recommendations ; administration of programs in cooperation with United States

business groups and standards organizations for the development of international standards

of practice; and maintenance of a clearinghouse for the collection and dissemination of scientific,

technical, and engineering information. The scope of the Bureau's activities is suggested in

the following listing of its four Institutes and their organizational units.

Institute for Basic Standards. Electricity. Metrology. Heat. Radiation Physics. Mechanics. Applied Mathematics. Atomic Physics. Physical Chemistry. Laboratory Astrophysics.* Radio Standards Laboratory: Radio Standards Physics; Radio Standards Engineering.** Office of Standard Reference Data.

Institute for Materials Research. Analytical Chemistry. Polymers. Metallurgy. Inorganic Materials. Reactor Radiations. Cryogenics.** Office of Standard Reference

Materials.

Central Radio Propagation Laboratory.** Ionosphere Research and Propagation. Troposphere and Space Telecommunications. Radio Systems. Upper Atmosphere and Space

Physics.

Institute for Applied Technology. Textiles and Apparel Technology Center. Building

Research. Industrial Equipment. Information Technology. Performance Test Development. Instrumentation. Transport Systems. Office of Technical Services. Office of

Weights and Measures. Office of Engineering Standards. Office of Industrial Services.

*NBS Group, Joint Institute for Laboratory Astrophysics at the University of Colorado.

**Located at Boulder, Colorado.
UNITED STATES DEPARTMENT OF COMMERCE • Luther H. Hodges, Secretary

NATIONAL BUREAU OF STANDARDS • A. V. Astin, Director

Standard X-ray Diffraction

Powder Patterns

Howard E. Swanson, Marlene Cook Morris,

Eloise H. Evans, and Linda Ulmer

National Bureau of Standards Monograph 25 —Section 3

Issued July 31, 1964

For sale by the Superintendent of Documents, U.S. Government Printing Office Washington, D.C., 20402 - Price 40 cents
Library of Congress Catalog Card Number: 53-61386
Contents

Page

Introduction 1 Standard x-ray powder patterns:

Aluminum 3:2 Silicate (mullite), 3Al203-2Si02

(orthorhombic) 3

Ammonium Fluoberyllate, (NH4)2BeF4 (orthorhombic) 5

Ammonium Fluoborate, NH4BF4 (orthorhombic). 6

*Antimony Selenide, Sb2Se3 (orthorhombic) 7 *Antimony Telluride, Sb2Te3 (trigonal) 8

*Arsenic Trioxide, claudetite, AS2O3 (monoclinic) 9

*Barium Bromide Monohydrate, BaBr2-H20

(orthorhombic) 10

Barium Stannate, BaSn03 (cubic) 11 Bismuth Orthophosphate, BiP04 (monoclinic) 11 *Bismuth Orthophosphate, BiP04 (trigonal) 13

*Bismuth Orthovanadate (low form), BiV04

(tetragonal) 14

*Bismuth Orthovanadate (high form) BiV04

(monoclinic) 14

Bismuth Telluride, (tellurobismuthite) , Bi2Te3

(trigonal) 16

Bismuth Trioxide, alpha (bismite), Bi203 (pseudoorthorhombic) 17

Cadmium Perchlorate Hexahydrate Cd(C104)2-

6H2O (trigonal) 19

Cadmium Sulfate, CdS04 (orthorhombic) 20

Cadmium Telluride, CdTe (cubic) 21

Calcium Fluoride Phosphate, (fluorapatite),

CasF (PO4) 3 (hexagonal) 22

*Cerium Niobium Titanium Oxide, (eschynite),

CeNbTiOe (orthorhombic) 24

*Cesium Chromate, Cs2Cr04 (orthorhombic) 25

Cesium Fluoride, CsF (cubic) 26

*Cobalt Fluosilicate Hexahydrate, CoSiF6-6H20

(trigonal) 27

*Cobalt Perchlorate Hexahydrate, Co(C104)2-

6H2O (hexagonal) 28

Copper Sulfate, (chalcocyanite), CUSO4 (orthorhombic) 29

Dysprosium Arsenate, DyAs04 (tetragonal) 30

Erbium Arsenate, ErAs04 (tetragonal) 31

Europium Arsenate, EuAs04 (tetragonal) 32

Gallium Arsenide, GaAs (cubic) 33

Holmium Arsenate, H0ASO4 (tetragonal) 34

Indium Arsenide, InAs (cubic) 35

Lanthanum Arsenate, LaAs04 (monoclinic) 36

Lanthanum Niobium Titanium Oxide, LaNbTiOe (monoclinic) 37

Lithium Phosphate, low form, (lithiophosphate)

,

Li3P04 (orthorhombic) 38

Lithium Phosphate, high form, Li3P04 (orthorhombic) 39

Magnesium Ammonium Phosphate Hexahydrate,

(struvite), MgNH4P04-6H20 (orthorhombic).. 41

Potassium Chlorate, KCIO3 (monoclinic) 42

Potassium Lithium Sulfate, KLiS04 (hexagonal) 43

Potassium Perchromate, K3Cr08 (tetragonal) _ _ 44

Potassium Zinc Decavanadate 16 Hydrate,

K2Zn2Vi„028-16H20 (triclinic) 45

Rubidium Chromate, Rb2Cr04 (orthorhombic) . 46

Silver Antimony Telluride, AgSbTe2 (cubic) 47

Sodium Magnesium Aluminum Boron, Hydroxy

Silicate, dravite, NaMg3Al6B3Si6027(OH)4 (trigonal) 47

Sodium Trimetaphosphate, NasPsOg (orthorhombic) 49

Sodium Trimetaphosphate Monohydrate, NasP3O9 H2O, (orthorhombic) 50

Stannous Fluoride, SnF2 (monoclinic) 51

Strontium 1 : 1 Borate, SrO-B203 (orthorhombic) . 53

Terbium Arsenate, TbAs04 (tetragonal) 54

Thallium Chromate, Tl2Cr04 (orthorhombic),. _ 54

Thulium Arsenate, TmAs04 (tetragonal) 56

Titanium Dioxide brookite, Ti02 (orthorhombic) 57

Zinc Telluride, ZnTe (cubic) 58

Cumulative index to Circular 539, Volumes 1, 2,

3, 4, 5, 6, 7, 8, 9, and 10, and Monograph 25,

Sections 1, 2, and 3 59

Cumulative mineral index 64

Errata

Circular 539

Vol. 1, Page 50, In the pattern of Swanson and Tatge, the d-values 0.8576, 0.8557,

0.8467, 0.8412, and 0.8383 should have the following hkl values, 422, 511,

513, 333, and 206.

Vol. 2, Page 46, Lattice constants paragraph, column 1, line 3: Puma should read

Pnma. This change was made in the Vol. 2 reprint.

Vol. 3, Page 54, On the line below hkl 121 insert hkl 012; on the line below hkl 200

insert hkl 031; hkl 040 should read 211; delete hkl values 230 and 410 and all those following 421.

Vol. 5, Page 10, Column 1, bottom line, the index of refraction should read 1.710. Page 11, In pattern of Swanson, Gilfrich, and Ugrinic, for hkl 721 d should

read 2.078. Page 43, Reference No. 3: The fourth author's name should be F. E. Sennett.

Vol. 8, Page 42, Column 1: The density should be 4.697. Page 65, TisSis should have 2 molecules per unit cell and the density 4.376.

Vol. 9, Page 6, (NH4)2PtBr6 table: Cu radiation applies to entire table.

iii
Errata—Continued

Page 19, hkl 102 should be 012.

Page 47, The density of KgZrFj should be 3.123. Monograph 25

Sec. 1, Page 10, Lattice constants table: headings a b c should read b c a. Page 12, The title should read: Erbium Gallium Oxide 3:5. . . . Sec. 2, Page 1, Column 2 line 11: potassium nitroso chlororhenate should be

potassium nitroso chlororuthenate.

Page 2, In the left hand column, the sentence beginning in the seventh line from the bottom should read: Factors for converting integrated intensities to peak height intensities are on the left side of the chart. Page 8, CdWOi space group should be C^h—P2/c (No. 13).

Page 11, Spectrographic analysis should read: 0.01 to 0.1 percent sodium

and ....

Page 34, The intensity of the line at (i =4.21 should be 61. Insert the reading:

M/=102, c? =3.94, 1 =2. Page 35, Refe.'ence No. 7 should read: Helen M. Ondik, to be published in Acta Cryst.

Monograph 25

Sec. 2, Page 22, Insert this data:

Addenda

hkl d I a

930 1. 2843 <1 12. 184

965 1. 0225 <1 12. 184

10-8.2 . 9398 <1 12. 181

13.5-0 . 8408 <1 12. 184

14.3-3 . 8329 <1 12. 184

Sec. 2, Page 35, Add this data: The sample is optically negative and the indices of refraction are N„ = 1.440, N3= 1.458,

Ny= 1.474, and 2V^90°.

Standard X-ray Diffraction Powder Patterns

The eleven previous volumes in this series are available from the Superintendent of Documents, U.S. Government Printing OiRce, Washington 25, D.C., as follows:

NBS Circular 539, Volume 1, Standard X-ray Diffraction Powder Patterns (Data for 54 inorganic substances) 45

cents NBS Circular 539, Volume 2, Standard X-ray Diffraction Powder Patterns (Data for 30 inorganic substances) 45

cents NBS Circular 539, Volume 3, Standard X-ray Diffraction Powder Patterns (Data for 34 inorganic substances) 45

cents NBS Circular 539, Volume 4, Standard X-ray Diffraction Powder Patterns (Data for 42 inorganic substances) 45

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

cents NBS Circular 539, Volume 6, Standard X-ray Diffraction Powder Patterns (Data for 44 inorganic substances) 40

cents NBS Circular 539, Volume 7, Standard X-ray Diffraction Powder Patterns (Data for 53 substances) 40 cents NBS Circular 539, Volume 8, Standard X-ray Diffraction Powder Patterns (Data for 61 substances) 45 cents NBS Circular 539, Volume 9, Standard X-ray Diffraction Powder Patterns (Data for 43 substances) 40 cents NBS Circular 539, Volume 10, Standard X-ray Diffraction Powder Patterns (Data for 40 substances) 40 cents 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

Send orders with remittance to Superintendent of Documents, U.S. Government Printing Office, Washington, D.C.

20402. Remittances 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.
STANDARD X-RAY DIFFRACTION POWDER PATTERNS

Section 3—Data for 51 Substances

Howard E. Swanson, Marlene Cook Morris/

Eloise H. Evans, ' and Linda Ulmer

Standard x-ray diffraction powder patterns are presented for the following fifty-one

substances: 3Al203-2Si02, (mullite) ; (NH4)2BeF4; NH4BF4; Sb2Se3*; Sb2Te3*; AS2O3*,

claudetite; BaBr2-H20*; BaSn03; BiP04 (monoclinic) ; BiP04* (trigonal); BiV04* (tetragonal); BiVOi* (monoclinic); Bi2Te3, (tellurobismuthite) ; BijOs, (bismite); Cd(C104)2-6H20*;

CdS04; CdTe; Ca5F(P04)3, (fluorapatite) ; CeNbTiOe*, (eschynite); Cs2Cr04*; CsF; CoSiFe6H2O*; Co(C104)2-6H20*; CUSO4, (chalcocyanite) ; DyAsO**; ErAs04*; EuAsOi*; GaAs*;

H0ASO4*; InAs; LaAs04*; LaNbTiOe*; Li3P04, (lithiophospbate) low form; Li3P04 high

form; MgNH4P04-6H20, (struvite) ; KCIO3; KLiSOi*; K3Cr08*; K2Zn2Vio02s-16H20*; Eb2-

Cr04*; AgSbTez*; NaMg3Al6B3Si6027(OH)4*, dravite; Na3P309; Na3P309-H20; SnF2*; SrO-BaOs*;

TbAs04*; TlCr04*; TmAs04*; Ti02, brookite; and ZnTe. Twenty-one are to replace patterns

already given in the X-ray Powder Data File issued by the American Society for Testing

and Materials, and thirty patterns indicated by asterisks are for substances not previously

included. The patterns were made with a Geiger counter x-ray diffractometer, using

samples of high purity. When possible, the d-values were assigned Miller indices determined

by comparison with calculated interplanar spacings and from space group extinctions. The

densities and lattice constants were calculated, and the refractive indices were measured

whenever possible.

INTRODUCTION

The X-ray Powder Data File [1] ^ is a compilation

of diffraction patterns from many sources and is used for the identification of unknown crystalline

materials by matching spacing and intensity

measurements. The National Bureau of Standards in its program ^ for the revision and

evaluation of published x-ray data for the X-ray

Powder Data File presents data in this report

for 51 compounds. This compilation is the

thirteenth of a series of "Standard X-ray Diffraction Patterns."* The designation "Circular

539" used for the first 10 volumes has been

discontinued in favor of the new series, "Monograph 25." This compilation is the third section

of the new series Monograph 25. Included are patterns recommended to replace data on 26

cards now present in the File. The other patterns

are for 30 compounds not included in the File.

These compounds are: antimony selenide; antimony telluride; arsenic oxide, claudetite; barium

bromide monohydrate; bismuth orthophosphate

(trigonal) ; bismuth orthovanadate (tetragonal) ; bismuth orthovanadate (monoclinic) ; cadium perchlorate hexahydrate; cerium niobium titanium oxide,

eschynite; cesium chromate; cobalt fiuosilicate

Research Associate at the National Bureau of Standards sponsored by

the Joint Committee on Chemical Analysis by Powder Diffraction Methods.

2 Figures in brackets indicate the literature references at the end of each

section of this paper.

3 This project is sponsored by the Joint Committee on Chemical Analysis

by Powder Diffraction Methods. This committee is composed of members

from the American Society for Testing and Materials, the American Crystallo- graphic Association, and the British institute of Physics. Financial support

is also provided by the National Bureau of Standards.

< Other volumes were published as follows: Circular 539 Vol. 1 and Vol. 2, June 1953; Vol. \ June 1964; Vol. 4, March 1955; Vol. 5, October 1955; Vol. 6, September 1956; Vol. 7, September 1957; Vol. 8, April 1959; Vol. 9, February

1960; Vol. 10, September 1960; Monograph 25 Section 1, March 1962; and

Section 2, May 1963.

hexahydrate; cobalt perchlorate hexahydrate;

dysprosium arsenate; erbium arsenate; europium

arsenate; gallium arsenide; holmium arsenate;

lanthanum arsenate ; lanthanum niobium titanium

oxide; potassium lithium sulfate; potassium perchromate; potassium zinc decavanadate 16-hydrate; rubidium chromate; silver antimony telluride ; sodium magnesium aluminum boron hydroxy

silicate, dravite; stannous fluoride; strontium 1:1

borate; terbium arsenate; thallium chromate;

and thulium arsenate.

The experimental procedure and general plan of

this Monograph section 3 have not changed greatly

from previous publications. However, the basic

technique is discussed, in this section, with minor

changes.

Powder data cards. Under this heading are given the Powder Data File card numbers, the

three strongest lines, and the literature references

for each card. Cards listed through the 1962 index

to the Powder Data File are included in the table.

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

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 by

J. deGroot. 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 analysis. A microscopic inspection for phase purity was made on the

nonopaque materials during the refractive index

determination. Another check of phase purity was

1
usually provided by the x-ray pattern itself, when

it was indexed by comparison with theoretical

rf-values. Treating the sample by appropriate

annealing, recrystaUization, or heating in hydrothermal bombs improved the quality of most of

the patterns. The refractive index measurements

were made by grain-immersion methods in white

light, using oils standardized in sodium light, and

covering the range 1.40 to 2.00.

X-ray techniques. At least three patterns for

intensity measurements were prepared to check

reproducibility. Samples that gave satisfactory

intensity patterns usuaUy had an average particlesize smaller than 10 [2]. In order to avoid the

orientation effects when samples are packed or

pressed, a sample holder was made that had an

extended rectangular cavity open at its top face

and 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 remaining end opening

while the holder was held in a vertical position.

With the sample holder returned to a horizontal

position, the glass sUde was carefuUy removed so that the sample surface could be exposed to the

x-ray beam (as shown in fig. 2). To powders

that did not flow readily or were prone to orient

excessively, approximately 50-voliune 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 fine. Additional patterns were obtained

for c^-value measurements. Specimens for these

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, hnear

interpolations were used for the regions between

the peaks of the standard. For low values of 26,

the pattern peak was measured in the center, at a

place averaging about 75 percent of the peak

height. For higher values of 26, where the ai and

a2 peaks were separated, the ai peak was measured

in the same way. The internal standard correc- tion appropriate to each region was then applied

to the measurement of 26. The internal standard

lattice constants used were 3.1648 A for tungsten

and 4.0861 A for silver at 25 °C. as determined by

Jette and Foote [3]. AU of the NBS patterns,

unless otherwise noted, are made at 25 °C, using

either filtered copper or cobalt radiation {Kai),

having the wavelengths 1.5405 A, and 1.7889 A,

respectively.

Structural data. For cubic materials a value

for the lattice constant was calculated for each

c?-value. However, the constant reported is that

obtained by averaging the last five lines because

of the greater accuracy of measurement in the

large-angle region of the pattern. The unit cell values for each noncubic substance were determined by means of a least-squares calculation

made on the IBM 7090, using those c?-values for

which only one set of Miller indices could be

assigned. The number of significant figures

reported for f/-values in the NBS pattern is limited

by the quality of each sample as indicated by

residuals obtained from least squares refinement.

A portion of the indexing and cell refinement

calculation was performed on a Burroughs B 220

computer at the United States Geological Survey

using a program developed by H. T. Evans, Jr.

2

Figure 1 FiGTTEE 2
D. E. Appleman, and D. Handwerker. Lattice

constant errors are given only for data refined on

that program and are based on least squares

refinement of the variance-covariance matrix

derived from the unweighted Ad residuals.

Published unit cell data in kX units were

converted to angstrom units using the factor

1.00202 as recommended by an international

conference of crystallographers [4]. The space groups are listed with both the

Schoenflies and short Hermann-Mauguin symbols

as well as the space group numbers given in the

International Tables for X-ray Crystallography

[5].Orthorhombic cell dimensions are presented

according to the Dana convention [6] 6>a>c.

The densities calculated from the NBS lattice

constants are expressed in grams per cubic

centimeter and are computed with atomic weights

based on carbon 12 [7], and the Avogadro number

(6.02252X10^^).

References

[1] Index to the X-ray Powder Data File, American

Society for Testing and Materials, 1916 Race Street,

Philadelphia 3, Pa. (1962).

[2] L. Alexander, H. P. Klug, and E. Kummer, Statistical

factors affecting the intensity of x-rays diffracted by

crystaUine powders, J. Appl. Phys. 19, No. 8, 742-753 (1948).

[3] E. R. Jette and F. Foote, Precision determination of

lattice constants, J. Chem. Phys. 3, 605-616 (1935).

[4] The conversion factor for kX units to angstrom units,

J. Sci. Inst. 34, 27 (1947).

[5] International Tables for X-ray Crystallography, 1,

1952.

[6] Dana's System of Mineralogy, 1, 6 (1944).

[7] International Union of Pure and Applied Chemistry,

Chem. Eng. News, Nov. 20, 43 (1961).

Aluminum 3:2 Silicate (mullite)* 3AI2O3 • 2Si02 (orthorhombic)

Powder data cards

Card Index Source

number lines

6-0258 3. 38 F. H. Cillery [1].

2. 20

3. 41

10-394 3. 39 H. Scholze [21 1955.

3. 42

2. 54

Additional published patterns. Norton [3]

1925, Navias and Davey [4] 1925; Wyckoff,

Grieg, and Bowen [5] 1926; Mark and Rosbaud

[6] 1926; Nahmias [7] 1933; Comeforo, Fischer,

and Bradley [8] 1948; and Kurylenko [9] 1952.

NBS sample. The sample of aluminum 3:2

silicate was prepared at NBS by C. Robbins.

Gamma AI2O3 and Si02 -711120 were mechanically

mixed in stoichiometric proportions of 3AI2O3 to

2Si02-7iH20. This mixture was pressed into pellets and fired at 1400 °C and 1500 °C with little

reaction, then remixed and fired in an open system

at 1700 °C for 24 hr. Reaction was nearly complete. It was crushed, reground in an agate

mortar and refired at 1725 °C for 24 hr. Chemical

analysis of the finished product showed 61.6 mole

percent AI2O3 and 38.4 mole percent Si02 instead

of the beginning percentages of 60 and 40 in the

3:2 mixture. Spectrographic analysis showed the

following major impm-ities: 0.01 to 0.1 percent

iron, and 0.001 to 0.01 percent each of calcium,

chromium, magnesium, manganese, nickel, titanium, and zirconium.

*Some disagreement exists in the literature as to which ratio or ratios of alumina to silica should be considered for mullite (3:2, 2:1, or both). This sample was prepared as 3 : 2 at the request of P. Schroth of the Armco

Steel Corp. to be used as an identification, diSraction standard for mullite

in refractory brick.

The sample was colorless and optically positive

with the indices of refraction Na= 1.637, N^ =

1.641, and N^=1.652.

The c?-values of the^three strongest lines are: 3.390, 3.428 and 2.206 A.

Structural data. Sadanaga, Tokonami, and

Takeuchi [10] in 1962 determined that mullite

has the space group Dl^-Pbam (No. 55). Wyckoff, Grieg, and Bowen [5] in 1926 determined that

mullite has 3/4(3Al203-2Si02) per unit cell. Several lattice constants have been converted from

kX to angstrom units for comparison with the

NBS values.

Lattice constants

The density calculated from the NBS lattice

constants is 3.170 g/cm^ at 25 °C.

a b c

o Ao Ao A

1926 Wyckoff, Grieg, 7. 52 7. 68 2. 86

and Bowen [5]. 1928 Taylor [11] 7. 51 7. 65 2. 88

1933 Nahmias [7] 7. 54 7. 67 2. 90

1952 Kurylenko [9].-- 7. 580 7. 689 2. 895

1955 Scholze [2] 7. 537 7. 671 2. 878

1960 Agrell and Smith 7. 5582 7. 6878 2. 8843

[12]. 1962 Sadanaga, *7. 583 *7. 681 *2. 8854

Tokonami,

and Takeuchi

[10]. 1963 National Bureau 7. 5456 7. 6898 2. 8842

of Standards ±. 0004 ±. 0005 ±. 0002

at 25 °C.

These values are for 2Alj08-S10j.

3
Aluminum 3 :

2

Silicate (muUite) SAI;l202-2Si02 (orthorhombic) —Continued

hkl

Internal Standard,

Tungsten, a = 3.1648 A

Cu, 1.5405 A at 25 °C hkl

Internal Stannard,

Tungsten, a = 3.1648 A

Cu, 1.5405 A at 25 °C

u J. rlU

T

1

oA

oA 110 u. oy 48 112 1 ^Q^9

200 ^ 774 co 341 1X, "idQd O^i/T: 120 O. rriiO 440 J.. OrcU^ } 6

210 O. O t/v' 1 on 151 J.. ooo\j 1X 9£d 001 A. oou 91 122 1 ^9Q0 1 212 } 5 220 9 fiQ4

111 511 4

130 9 A9R 1 % 350 1 1 90 Qo 310 9 ^Q^ 530 1J.. OUUrt "^004 4

021 9^. 0\J0 ^OS o 060 1 981

4

7 251 1 9771

201 2 9Q2 1 Q

121 9 9nfi Ol 222 1 9714 6

230 9 191 9'^ 521 1 9ft"^0 1X 9£d 320 9 1 Ofi 7< 600 1X. 9ii74/ ^ ^9

221 9 132 1X. 9'^QR £iOiJ\J fto 312 1X. 9^4Q ^OrtV 9

040 1 09*^ J.. iJ £tO 9

400 11. SR7 OOI QO 441 1X. 91^xyyQQ 9

140 1 Sfi^ ^9 260 1 91 "^1 X. ^ LO L ^9

311 11. S41 Orrl 232 1X, 1xy^^i 094 4

330 531 1X. LOOO 1 S'^'i QO 402 1 1 4(^7 X. L'±OI ^9

240 1. 7125 6

321 1. 7001 14 261 1. 1190 1 420 1J. nw 242 1 1 0^9 4

041 1 ^QQQ 90 422 1X. 0081 uoox Q

401 J.. U 1 ou 1

1

1

1

270 1X. 01^48 uoio <^9

171 1X. 01u X 79/ ^ 4

1. 5644 2

411 1. 5461 2 252 1. 0133 4

331 1. 5242 37 370, 522 1. 0065 8

150 1. 5067 <2

510 1. 4811 <2

241 1. 4731 <2

421 1. 4605 7 002 1. 4421 17

250 1. 4240 3

520 1. 4046 7

References

[1] F. H. Gillery, The Pennsylvania State Univ., University Park, Pa.

[2] H. Schoize, Zum Sillimanit-Mullit Problem, Ber. deut.

keram. Ges. 33, 381-5 (1955).

[3] J. T. Norton, An x-ray study of natural and artificial sillimanite, J. Am. Ceram. Soc. 8, 401 (1925).

[4] L. Navias and W. P. Davey, Differentiation between

mullite and sillimanite by their x-ray diffraction

patterns, J. Am. Ceram. Soc. 8, 640 (1925).

[5] R. W. G. Wyckoff, J. W. Grieg, and N. L. Bowen,

The x-ray diffraction patterns of mullite and silli- manite. Am. J. Sci. 11, 459-72 (1926).

[6] H. Mark und P. Rosbaud, Uber die Struktur der

Aluminiumsilikate vom Typus AljSiOs und des

Pseudobrookits, Neues Jahr. Mineral. Geol.

Beilage B. 54A, 127-64 (1926).

[7] M. E. Nahmias, Bauxites et mullites, etudi^es au moyen des rayons X. Z. Krist. 85, 355-69 (1933).

[8] J. E. Comeforo, R. B. Fischer, and W. F. Bradley,

MuUitization of kaolinite, J. Am. Ceram. Soc. 31,

254-9 (1948).

[9] C. Kurylenko, Ensayo sobre la estructura de la mullita, pR Revista cientifica 2, 107-120 (1952).

[10] R. Sadanaga, M. Tokonami, and Y. Tak^uchi, The

structure of mullite, 2Al203-Si02 and relationship

with the structures of sillimanite and andalusite,

Acta Cryst. 15, 65 (1962).

[11] W. H. Taylor, The structure of silhmanite and mullite,

Z. Krist. 68, 503-521 (1928).

[12] S. O. Agrell and J. V. Smith, Cell dimensions, solid

solutions, polymorphism, and identification of mullite and sillimanite, J. Am. Ceram. Soc. 43,

69 (1960).

4
Ammonium Fluoberyllate, (NH4)2BeF4 (orthorhombic)

Powder data cards

oara number

Index

lines

3-0885 2. 48

2. 27

4. 31

The Dow Chemical Co.

Additional published patterns. None.

NBS sample. The sample of ammonium fluoberyllate was obtained from K and K Laboratories,

Jamaica, Long Island, N.Y. Spectrographic analysis showed the following major impurities: 0.001

to 0.01 percent each of aluminum, calcium, and

silicon.

The sample was colorless, and optically negative

with N„=1.397, N3=1.401, and N^ = 1.403.

The (^-values of the three strongest lines are: 4.275, 2.478, and 4.312 A.

Structural data. Hultgren [1] in 1934 determined that ammonium fluoberyllate belongs to

the space group D^g-Pnam (No. 62) with4[(NH4)2-

BeF4] per unit cell. The lattice constants of

Mukherjee [2] have been converted from kX to

angstrom units for comparison with the NBS

values.

Lattice constants

a b c

A A

oA

1934 Hultgren [1] 7. 5 10. 2 5. 8

1945 Mukherjee [2]... 7. 51 10. 41 5. 90

1963 National Bureau 7. 645 10. 450 5. 929

of Standards at ±. 001 ±. 001 ±. 001

25 °C.

The density of ammonium fluoberyllate calculated from NBS lattice constants in 1.698 g/cm^

at 25 °C.

hkl

Internal Standard, „ Tungsten, a==3.1648 A

Cu, 1.5405 A at 25 °C

d /

o A

020 5 229 5

U J. 1 5. 157 15

4. 312 90

111 111 4. 275 100

3. 821 36

201 3. 212 <2

990 3. 085 38

0^1 3. 003 46

009 2. 962 40

lo 1 2. 794 <2

112 2 671 23

0J.0 2. 612 48

9^0 2. 575 15

oiU0 2. 478 96

1 99 2. 443 69

231 2. 362 15

909 2. 342 <2

Q90 2. 289 75

oil 2. 284 <2

1 ^9 2. 164 32

321, 222 2. 136 25

QQO ooU 2. 056 16

2. 027 3

UOl 1. 970 3

01^ 001 UlOj oOl 1. 942 26

400 1. 911 4

J.1 41U0 l! 879 <2

9PiO 1. 8339 10

^Ul 1. 8192 2

•^99 1. 8124 <2

411, 420 1. 7934 2 L 7526 7 O^l 1. 7552 <2

Uoo 1. 7193 3

IDU 1. 6977 4

133 1. 6765 4

OOU 1. 6168 <2

A09 1. 6070 5 233 1. 5668 <2

252, 351 1. 5598 2

510 1. 5124 3

323 1. 4963 <2

004 1. 4821 6

References

[1] R. Hultgren, Crystal structures of ammonium beryllium fluoride, Z. Krist. (A) 88, 233-237 (1934).

[2] P. L. Mukherjee, Crystal structures of metallic

fiuoberyllates, double fiuoberyllates and sulphatofluoberyllates, Indian J. of Phys. 18, 148 (1945).

728-345 0—64 2

5
Ammonium Fluoborate, NH4BF4 (orthorhombic)

Powder data cards.

Card

nilTYiHpT

Index

lines Source

1-0335 4. 50

3. 55

3. 18

Hanawalt, Rinn, and Frevel

[2] 1938.

Additional published patterns. None.

NBS sample. The sample of ammoniiun fluoborate was obtained from K and K Laboratories,

Jamaica, Long Island, N.Y. Spectrographic

analysis showed the following major impm^ities:

0.1 to 1.0 percent each of calcium and phosphorus

and 0.001 to 0.01 percent each of iron, titaniima,

and strontium.

The sample was colorless and had extremely

low birefringence and indices of refraction.

The c?-values of the three strongest lines are: 4.482, 3.542, and 3.186 A.

Structural data. Hoard and Blair [1] in 1935

determined that ammonium fluoborate has the

space group D^^-Pbnm (No. 62) and 4(NH4BF4)

per unit cell. The cell constants of Hoard and

Blau' have been converted from kX to angstrom

imits for comparison with the NBS values. ,

Lattice constants J

a b c

o A A

o A

1935 Hoard and Blair 7. 24 9. 08 5. 65

[1]. 1963 National Bureau 7. 272 9. 063 5. 686

of Standards ±. 001 ±. 001 ±. 001

at 26 °C.

hkl

Internal Standard, „ Tungsten, a =3.1648 A

Cu, 1.5405 A at 26 °C hkl

Internal Standard, „ Tungsten, a = 3.1648 A

Cu, 1.5405 A at 26 °C

d / d /

o Ao A

110 5. 668 30 312 1. 808 8

020 4. 528 58 410 1. 782 2

101 4. 482 100 150 1. 759 <1

120 3. 844 51 023 1. 749 <1

200 3. 635 51 142 1. 721 5

021 3. 542 85 322 1. 708 2 210 3. 376 11 411, 123 1. 701 <1

121 3. 186 85 151 1. 680 3

211 2. 902 61 213 1. 653 19

002, 220 2. 839 35 250 1. 622 4

130 2. 792 4 242 1. 593 <1

112 2. 541 45 223 1. 575 3

131 2. 505 12 430 1. 558 2 022 2. 409 12 402 1. 532 1 310 2. 341 23 060, 412 1. 510 <1

230 2. 324 37 303 1. 4933 2 122 2. 286 35 233 1. 4691 <1

040 2. 266 10 043 1. 4535 5 202 2. 238 510 1. 4365 4

301 2. 232 } IS 161 1. 4316 4

212 2. 176 004 1. 4217 2

311, 140 2. 165 1 45 260 1. 3954 <1

231 2. 151 11 520 1. 3848 <1

320 2. 138 5 441 1. 3755 <1

041 2. 104 11 432 1. 3656 2

141 2. 022 3 521 1. 3459 <1

222 2. 008 3 333 1. 3381 1 330 1. 891 2 062 1. 3344 <1

103 1. 834 2 530 1. 3104 <1

241 1. 821 6 413 1. 2983 2
Ammonium Fluoborate, NH4BF4 (orthorhombic) —^Coiitinued

The density of ammonium fluoborate calculated References

from the NBS lattice constants is 1.858 g/cm^ at

26 °C. [1] J. L. Hoard and V. Blair, The crystal structures of rubidium and ammonium fluoborates, J. Am.

Chem. Soc. 57, 1985-88 (1935).

[2] J. D. Hanawalt, H. W. Rinn, and L. K. Frevel, Chemical analysis by x-ray diffraction, Ind. Eng. Chem.

Anal. Ed. 10, 457-512 (1938).

Antimony Selenide, SbsSes (orthorhombic)

Powder data cards. None.

Additional published patterns. Donges [1] 1950.

NBS sample. The sample of antimony selenide

was obtained from Semitronics, Inc., Winchester,

Mass. It was heated in an evacuated tube at

450 °C overnight to obtain a sharper pattern.

Spectrographic analysis showed the followingmajor impurities: 0.01 to 0.1 percent tellurium and

L 7 7 hkl

Internal Standard, „ Tungsten, a= 3.1648 A

Cu, 1.5405 A at 25 °C

d /

A

110 8. 28 7 020 5. 89 24

200 5. 82 5 120 Oo

220 4. 14 10

101 3. 76 11 130 3. 720 32

310 3. 682 15

021 3. 297 11 231 3. 253 71

211 3. 162 73

040 2. 945 2

400 2. 910 4

221 2. 868 100

301 2. 776 62

330 2. 759 10

311 2. 703 22

240 2. 629 61

420 2. 608 22

321 2. 513 31

041 2. 367 23

340 2. 345 13

430 2. 337 13

141 2. 319 35

411 2. 303 12

510 2. 282 8

331 2. 268 7 250 2. 184 35

520 2. 164 19

440 2. 070 9

431 2. 015 35

501 2. 010 31

530 2. 002 31

151 1. 998 23

002 1. 989 26

060 1. 963 7

0.001 to 0.01 percent each of aluminum and

silicon.

The sample was a dark gray opaque powder.

The c/-values of the three strongest lines are: 2.868, 3.162, and 3.253 A.

Structural data. Donges [1] in 1950 determined that antimony selenide has the antimony

sulfide structure, the space group Dah-Pbnm (No.

62), and 4(Sb2Se3) per unit cell.

Lattice constants

a b c

o A

o Ao A

1950 Donges [1].

.

11. 58 11. 68 3. 98

1963 National Bureau

of Standards

at 25° C 11. 633 11. 780 3. 985

hkl

Internal Standard, „ Tungsten, a = 3. 1648 A

Cu, 1.5405 A at 25 °C

d /

o A

112 1. 938 7 160 1. 936 7 610 1. 913 7 212 1. 861 8

620 1. 841 3

441 1. 837 4

540 1. 826 3

351 1. 797 8

531 1. 788 15

061 1. 761 47

312 1. 752 20

322 1. 698 13

621 1. 672 5 710 1. 646 5

142 1. 632 <1

412 1. 628 <1

640 1. 619 6

270 1. 617 8

720 1. 600 12

242 1. 586 17 422 1. 582 10

370 1. 544 8

171 1. 568 5

7
Antimony Selenide, SbgSea (orthorhombic)—Continued

The density of antimony selenide calculated

from NBS lattice constants is 5.843 g/cm^ at 25 °C.

Antimony Telluride,

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of antimony telluride was obtained from Semitronics, Inc., Winchester, Mass. It was heated at 450 °C over- night in an evacuated tube to sharpen the pattern.

Spectrographic analysis showed the following

major impurities: 0.001 to 0.01 percent each of

aluminum and silicon.

The sample was dark gray opaque powder.

The c?-values of the three strongest lines are: 3.157, 2.349, and 2.130 A.

Structural data. Donges [1] in 1951 showed

that antimony telluride is isomorphous with

bismuth tellmide, having the space group Dsj—

E3m (No. 166), and 3(Sb2Te3) per unit hexagonal

cell, or l(Sb2Te3) per unit rhombohedral cell. The unit cell measurements reported by Semiletov

[2] have been converted from kX to angstrom

units for comparison with NBS values.

Lattice constants

a c

oAoA

1951 Donges [1] 4. 25 30. 35

1956 Semiletov [2] 4. 25 29. 92

1963 National Bureau of Standards at 25 °C. 4. 262 30. 450

The density of antimony telluride claculated

from NBS lattice constants is 6.513 g/cm^ at 25 °C.

References

[1] E. Donges, Uber Chalkogenohalogenide des dreiwertigen Antimons und Wismuts. III. Uber Tellurohalogenide des dreiwertigen Antimons und Wismuts

und iiber Antimon und Wismut (III) —Tellurid und

Wismut (III) —Selenid, Z. anorg. u. Allgem, Chem.

265, 56-61 (1951).

[2] S. A. Semiletov, Electronographic determination of antimony telluride structure, Kristallografiya 1,

403-406 (1956).

Reference

[1] E. Donges, Uber Selenohalogenide des dreiwertigen

Antimons und Wismuts und tiber Antimon (III)-

selenid, Z. anorg. Chem. 263, 280-291 (1950).

SbaTcs (trigonal)

hkl

(hex.)

Internal Standard, „ Tungsten, a = 3.1648 A

Cu, 1.5405 A at 25 °C

d I

o A

003 10. 16 1 006 5 08 3

009 Z. 383 5 104 3. 321 1 015 3. 157 100

107 2. 815 <1

018 2. 651 1 I-O-IO 2. 349 34

O-l-ll 2. 215 5 110 2. 130 23

0-0-15 2. 030 4

1-0-13 1. 977 4

116 L 964 1 0-1-14 1. 875 3

119 1. 804 2

205 1. 766 10

0-0-18 1. 692 2

208 1. 661 <1

0-1-17 1. 611 2 0-2-10 1. 578 7

2-0-11 1. 537 1 1-0-19, 1-1-15 1. 470 7 0-0-21 i. 450 2

0 • 1 • 20 1. 408 1 125 1. 3597 7

1-1-18 1. 3249 1 0-0-24, 2-1-10 1 OfiQQ i. ^OOO c; *j 0.1-23 1. 2462 2 300 1. 2303 1 0.2-19 1. 2102 2

1-1-21 1. 1988 <1

2-0-20, 1-2-14 1. 1742 1 1-0-25 1. 1563 <1

2-1-16 1. 1252 <1

2-0-23 1. 0759 <1

220 1. 0655 1 2-1-19 1. 0522 <1

1-0-28 1. 0431 <1

1-2-20 1. 0286 <1

0-2-25 1. 0167 1

0-1-29 1. 0096 1 3-0-18 0. 9952 <1

1-3-10 . 9704 1 2-2-15 . 9434 <1

8
Arsenic Trioxide, claudetite, AS2O3 (monoclinic)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of claudetite was

obtained from the National Museum, No. 1737

from the San Domingo mines, Portugal. Spectrographic analysis showed the following major impurities: 0.1 to 1.0 percent each of aluminum,

yttrium, and zinc; 0.01 to 0.1 percent each of

barium, calcium, cobalt, chromium, iron, magnesium, titanium, and tungsten.

The sample was colorless. Due to the high

indices of refraction a complete optical analysis

was not obtained, but partial results seemed to

confirm the data given in Dana [4]. The c^-values of the three strongest lines are:

3.245, 3.454, and 2.771 . A

Structural data. Buerger [1] in 1942 determined

that claudetite has the space group Cih-P2i/n

(No. 14) and 4(As203) per unit cell.

The density of claudetite calculated from the

NBS lattice constants is 4.186 g/cm^ at 25 °C.

References

[1] M. J. Buerger, The unit cell and space group of claudetite, AS2O3, Am. Mineralogist 37, 216 (1942).

[ 2] K. A. Becker, K. Plieth, and I. N. Stranski, Strukturuntersuchung der monoklinen Arsenikmodifikation

Claudetit, Z. anorg. allgem. Chem. 366, 293-301

(1951).

[3] A. J. Frueh, The crystal structure of claudetite (monoclinic AS2O3) Am. Mineralogist 36, 833-850 (1951).

[4] Palache, Berman, and Frondel, Dana's System of

Mineralogy, 7th Ed. 1, 546 (1951).

hkl

Internal Standard

Silver, a = 4.0861 A

Cu, 1.5405 A at 25 °C

d /

0

020 6. 496 9

110 4. 924 26

on 4. 277 4

120 4. 118 9

021 3. 717 <3

TOl 3. 586 14

111 3. 454 50

130 3. 356 20

101 3. 328 18

040 3. 245 100

031 3. 129 5

140 2. 771 34

131, 041 2. 640 15

210 2. 608 14

211, 150 2, 333 7

002 2. 264 24

051 2. 253 5 012 2. 231 11

221, 151 2. 104 6

151 2. 048 5

112, 160 2. 005 <3

042 1. 857 11 142 1. 788 4

251, 170 1. 7514 5 071 1. 7163 8

T71 1. 6477 4

080 1. 6228 <3

152, 261 1. oyso <3

180 1. 5522 7 113 1. 4716 4

123 1. 3915 <3

332, 091 1. 3749 4

182 1. 2937 3

213 1. 2667 <3

163 1. 2220 <3

372, O-IM 1. 1423 <3

Lattice constants

a b c 0

0A

0A0 A

1951 Becker, Plieth and Stranski [2] 5. 25 12. 90 4. 53 93°53'

1951 Frueh [3] 5. 25 12. 87 4. 54 93°49'

1963 National Bureau of Standards at 25 °C 5. 339 12. 984 4. 5405 94°16. 1' ±. 002 ±. 001 ±. 0005 ±. 9'
Barium Bromide Monohydrate, BaBrj-HaO (orthorhombic)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of barium bromide

monohydrate was prepared from barium bromide

dihydrate obtained from City Chemical Co., New

York, N.Y. The hydrate was heated overnight

at 85 to 90 °C. Spectrographic analysis showed

the following major impurities: 0.01 to 0.1 percent

each of sodium and strontium; and 0.001 to 0.01

percent each of calcium, magnesium, silicon, and

titanium.

The color of the sample was white. The refractive index could not be determined because the

sample was too fine.

The c?-values of the three strongest lines are: 3.170, 2,512, and 2.999 A.

Structural data. Vainstein and Pinsker [1] in 1950 determined that barium bromide monohydrate has the barium chloride monohydrate

structure, the space group Djh-Pbnm (No. 62),

and 4(BaBr2-H20) per vmit cell.

Lattice constants

a b c

o A A

o A

1950 Vainstein and

Pinsker [1] 9. 41 11. 59 4. 59

1963 National Bureau

of Standards

at 25 °C 9. 434 11. 650 4. 6062

±. 001 ±. 001 ±. 0005

The density of barium bromide monohydrate

calculated from the NBS lattice constants is 4.135

g/cm^ at 25 °C.

Reference

[1] B. K. Vainstein and Z. G. Pinsker, Electron diffraction

study of BaBr2- H2O, Zhur. Fiz. Khim. 24, 432 (1950).

Internal Standard, „ Tungsten, a = 3.1648 A

Cu, 1.5405 A at 25 °C

d I

0

AA

liU 7. 36 6

UzU 5. 83 23

1 on 4. 96 5

4. 38 5 101 4. 14 12

111 111 3. 91 13

UZl 3. 613 8

1^21 3. 377 2

01 1 3. 170 100

230 2. 999 48

U4U 2. 913 18

1 Q 1 lol 2. 836 3

14U 2. 784 4

oUl 2. 596 14

231 2. 512 64

1)41 2. 462 34

2. 359 26

UUz 2. 303 26

A on 4^U 2. 189 2 022 2. 142 3

2. 091 <2 01 0

2. 038 <2

61U 1. 863 <2

OQ 0 1. 827 16

042 1. 807 4

Uol 1. 788 11

A A 1 441 1. 703 12

4 no 4U/ 1. 648 11

1. 569 9

611 1. 476 3

080 1 A CA 1. 400 00

01 0 CIO Zlo, OlZ 1. 448 6

A A Ct 4:4: Z 1. 434 2

A £i^ 4ol 1. 425 5 no 1 Uol 1. 3882 4

0 no 1. 3796 <2

coo 062 1. 3658 6

043 1. 3582 <2

323 362 1. 3426 <2

272 1. 2964 6

343 1. 2470 <2

082 1. 2308 <2

571, 063 1. 2041 3

10
Barium Stannate, BaSnOs (cubic)

Powder data cards

Card

number

Index

lines Source

3-0675 2. 91

2. 68

2. 06

H. D. Megaw, Philips Lamps

Ltd.

Additional published patterns. None.

NBS sample. The sample of barium stannate

was prepared at NBS from stoichiometric amounts

of barium carbonate and stannic oxide, pressed

into a pellet and heated at 1400 °C for 1 hr.

Spectrographic analysis showed the followingmajor impurities: 0.1 percent calcium and 0.01 to

0.1 percent each of aluminum, magnesium, silicon,

and strontium.

The sample was very light gray. The indices

of refraction could not be determined because the

sample was too fine.

The c?-values of the three strongest lines are: 2.911, 1.6805, and 2.058 A.

Structural data. Megaw [1] in 1946 determined

that barium stannate has the perovskite structure,

the space group Oi-Pm3m (No. 221), and 1 (BaSnOa) per unit cell.

Lattice constants

A

1946 Megaw [1] - _ 4. 1168

1957 Roth [2] 4. 114

1958 Wagner and Binder [3]. 4. 1157

1963 National Bureau of Standards

at 25 °C 4. 1163

The density of barium stannate calculated from

the NBS lattice constant is 7.238 g/cm^ at 25 °C.

Internal Standard, „ Tungsten, 0^3.1648 A

hkl Cu, 1.5405 A at 25 °C

IJ CL

A

oA 110 9 Ql 1 At. 117 Ill 111 2. 376 4 4 117

200 2. 058 31 4. 117

oil 1. 6805 35 4. 1164

220 1. 4555 16 4. 1167

310 1. 3017 13 4. 1163

222 1. 1882 5 4. 1160

321 1. 1002 13 4. 1166

400 1. 0291 3 4. 1164

411 0. 9702 7 4. 1161

420 . 9204 6 4. 1162

332 . 8776 5 4. 1163

422 . 8402 5 4. 1163

510 . 8073 15 4. 1164

Average value of last

five lines 4. 1163

References

[1] H. D. Megaw, Crystal structure of double oxides of the

perovskite type, Proc. Phys. Soc. London 58, 133

(1946).

[2] R. S. Roth, Classification of perovskite and other

ABOs-type compounds, J. Res. NBS 58, 75-88

(1957) . [3] G. Wagner and H. Binder, The binary systems

BaO-Sn02 and BaO-PbOz. II. Crystal structure determinations, Z. anorg. allgem. Chem. 298, 12-21

(1958) .

Bismuth Orthophosphate, BiP04 (monoclinic)

Powder data cards

Card

number

Index

lines Source

1-0812 3. 08

2. 87

4. 20

Hanawalt, Rinn, and Frevel [1] 1938.

Additional published patterns. Zemann [2] 1950.

NBS sample. The sample of monoclinic bismuth orthophosphate was obtained from Bios

Laboratories, Inc., New York, N.Y. Speptrographic analysis showed the following major impurities: 0.1 to 1.0 percent each of calcium and

sodium and 0.01 to 0.1 percent each of silver,

aluminum, copper, iron, magnesium, lead, and

silicon.

The color of the sample was white. The indices of refraction could not be obtained because

the sample was too fine.

The (l-values of the three strongest lines are: 3.066, 2.862, and 4.156 A.

Structural data. Zemann [2] in 1950 determined that monoclinic bismuth orthophosphate

has the monazite structure, the space group C2IP2i/n (No. 14), with 4(BiP04) per unit cell. According to Mooney-Slater [3] 1962, three forms of

bismuth phosphate exist: a hexagonal low phase

formed from precipitation at room temperature,

a high monocHnic phase formed about 700 °C and

the monoclinic monazite phase formed above

350 °C.

11
Bismuth Orthophosphate, BiP04 (monoclinic)—Continued

Lattice constants

1950

1963

Zemann [2] National Bureau of Standards at 25 °C__

a b c /3

o A

6. 75

6. 752

o A

6. 96

6. 933

o A

6. 42

6. 468

104°

103°42. 5'

L 7 7 hkl

Internal Standard,

Tungsten, a= 3.1648 A

Cu, 1.5405 A at 25 °C

d /

o A

101 5. 18 8

110 4. 761 12

oil 4 655 50

111 4. 156 58

101 4. 079 22

111 3. 514 23

020 3. 466 8

200 3. 282 57

002 3. 142 13

120 3. 066 100

021 3. 036 19

210 2. 963 19

211 2. 934 16

2. 862 73

202 2. 597 22

211 2. 484 3

112 2. 438 18

212 2. 433 16

220 2. 382 4

022 2. 328 11

130 2. 180 3

031 2. 170 23

103 2. 150 23

311 2. 128 18

131 2. 112 23

310 2. 085 7 131 2. 013 5 212 1. 959 24

301 1. 929 9

213 1. 916 8

hkl

Internal Standard,

Tungsten, o = 3.1648 A

Cu, 1.5405 A at 25 °C

d I

o A

230 1. 889 5 231 1. 882 15

103 1. 872 6

032 1. 862 20

320 1. 850 13

023 1. 794 14

322 1. 755 21

231 1. 745 13

040 1 733 14

132 1. 729 28

513 1. 679 5 140 1. 676 7 400 1. 640 6

402 1. 620 8

313 1. 608 3

410 1. 596 9

330 1. 589 4

312 1. 581 7 412 1. 576 6

240 1. 533 15

214 1. 530 15

042 1. 518 3

411 1. 467 2

133, 223 1. 455 6

242 1. 442 4

314 1. 418 4

421 1. 379 7 431 1. 363 7 303 1. 360 3 423 1. 355 2 501 1. 350 5

References

The density of monoclinic bismuth orthophos- [1] J- D- Hanawalt, H. W. Rinn, and L. K. Freyel,

phate calculated from NBS lattice constants is ^hemical analysis by x-ray diffraction, Ind. Eng.

ft OAQ /r.Tv,3 of op; on Ohem. Anal. ii.d. 10, 457-512 (193»). D.esDO g/cm ai v^. [2] j. Zemann, Beitrage zue Kristallchemie des Wismuts,

Tschermaks mineralog. petrog. Mitt. 1, 361-377

(1950).

[3] R. C. L. Mooney-Slater, Polymorphic forms of bismuth

phosphate, Z. Krist. 117, 371-385 (1962).

12
Bismuth Orthophosphate, BiP04 (trigonal)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of trigonal bismuth

orthophosphate was precipitated at NBS from a mixture of bismuth nitrate and phosphoric acid.

Spectrographic analysis showed the following major impurities : 0.01 to 0.1 percent sodium and 0.001

to 0.01 percent silicon.

The sample was colorless. The indices of refraction could not be determined because the sample

was too fine.

The c?-values of the three strongest lines are: 4.421, 3.025, and 2.854 A.

Structural data. Mooney-Slater [1] in 1962 determined the structure of the trigonal bismuth

orthophosphate; it has the space group D|-P3i21

(No. 152) and 3 (BiP04) per unit cell. This form

is transformed to a monoclinic monazite structure

at 350 °C and to another higher temperature

monoclinic form above 700 °C.

Lattice constants

a c

o Ao A

1962 Mooney-Slater [1] 6. 966 6. 460

1963 National Bureau of Standards at 25 °C- 6. 9820 6. 4764

±0. 0004 ±0. 0007

The density of trigonal bismuth orthophosphate

calculated from NBS lattice constants is 5.538

g/cm^ at 25 °C.

Reference

[1] R.C.L. Mooney-Slater, Polymorphic forms of bismuth

phosphate, Z. Krist. 117, 371-385 (1962).

hkl

Internal Standard,

Tungsten, 0=3.1648 A

Cu, 1.5405 A at 25 °C

a

T

1

a A

100 6. 06 65

101 ^. 4Zi iUU

110 o. ly-i

111 o. U / o

A A '±'1 200

102 2. 854 82

112 ^. OI O

210 ZoD 1 O 202 c0 211 Z. iOD c 1 Oi

103 2. 032 6

300 Z. DID 4

301 1. yzo OO

212 1. 80/ 51

113 1. oo7 aO

203 1. 7571 24

220 1. 745Z Id

302 1. 7115 ori 310 1. 0774 1 oIZ 311 1. ozoy 1 i

213 1. 5693 6

104 i. 0044 ii

222 1. OoOO eO 400 1. Olio 0

312 1 A ono 1. 4»yz 1 o

114 1. 4687 10

402 1. ooyo QO

321 i. oooo 1 A 14

214 i. 6l\j\i 15

322

105 1. 2667 5 304 1. ZDZ4 7 403 1 OO O /I 1. z3»4 Z 412 1. llVi 5 501 1. 1885 5

330 1. 1639 8

331 1. 1450 3

420 1. 1425 4

502 1. 1328 5 215 1. 1267 7

413, 421 1. 1255 5 510 1. 0860 4

422 1. 0774 3

511 1. 0709 2

728-345 O—64 3
Bismuth Orthovanadate (low form), BiV04 (tetragonal)

Powder data cards. None. (Card No. 12-293

gives data for a mineral pucherite, BiV04, which

is orthorhombic and does not compare with

either of the synthetic forms of BiV04.)

Additional published patterns. None.

NBS sample. The sample of low form bismuth

orthovanadate was obtained from City Chemical

Corp., New York, N.Y. Spectrographic analysis showed the following major impm-ities: 0.001

to 0.01 percent each of aluminum and silicon.

The sample was also precipitated at NBS from

solutions of Na3V04 and Bi(N03)3. If the precipitate is heated below 400 °C, the tetragonal

form is unchanged. Between 400 and 500 °C the

changed to the stable monoclinic form occurs. The color of the sample was orange-yellow. The

indices of refraction could not be determined

because the sample was too fine.

The (i-values of the three strongest hnes are: 3.649, 2.738, and 1.879A.

Structural data. The structure of low form

bismuth orthovanadate has not been reported in

the literatm-e. However, because of the similarity

of patterns it is thought to be isostructural with

zircon, having the space group DJ^-l4i/amd (No.

141) and 4(BiV04) per unit cell.

Lattice constants

1963 National Bureau

of Standards at 26 °C

a c

o A

7. 2999

oA

6. 4573

The density of low form bismuth orthovanadate

calculated from NBS lattice constants is 6.252

g/cm^ at 26 °C.

hkl

Internal Standard,

Tungsten, a 3.1648 A

Cu, 1.5405 A at 26 °C

a /

A

101 A oo n 4. ooy 47

200 6. 049 100

211 o mo 22

112 z. too 61

990 2. 582 21

202 z. 419 3

301 18

103 065 11 321 1. 9oZ 14

^1 9 1. 879 48

400 1. 825 15

213 1. 797 7 411 1. 708 5 420 1. 632 11

UU'l 1. 614 7

332 1. 5183 10

204 1. 4765 10

501 1. 4240 6

224 1 1 1 1

1. 3261 3

512 1. 3087 12

600 1. 2169 6

404 1. 2092 9

215 1. 2008 5 611 1. 1799 2

532 1. 1673 6

620 1. 1543 7 424 1. 1478 9

Bismuth Orthovanadate (high form), BiV04 (monoclinic)

Powder data cards. None. (Card No. 12-293

gives data for a mineral pucherite, BiV04, which

is orthorhombic and does not correspond to either

form of BiV04 which we prepared.)

Additional published patterns. None.

NBS sample. The sample of high form bismuth orthovanadate was prepared by R. S. Roth

at NBS by heating stoichiometric mixtures of bismuth oxide and vanadium oxide at 895 °C for 16

hr. Spectrographic analysis showed the following

major impurities: 0.001 to 0.01 percent each of

aluminum and silicon. The monoclinic form was

also prepared from the low form which was made

by precipitation from solutions of Na3V04 and

Bi(N03)3. The low form sample is tetragonal up

to approximately 400 °C. The nonreversible

change to the monoclinic form takes place between 400 and 500 °C.

The color of the sample was orange-yellow.

The indices of refraction could not be determined

because the sample was too fine.

The c?-values of the three strongest lines are: 3.095, 3.082, and 3.120 A.

Structural data. Roth and Waring [1] in 1963

reported that high form BiV04 is thought to be

isostructural with fergusonite because of the similarity of patterns. Ferguson [2] in 1955 reported

that the fergusonite structure is monoclinic. The

probable space group is Czh— l2/a (No. 15) with

4(BiV04) per unit cell.

14
Bismuth Orthovanadate (high form), BiV04 (monoclinic)—Continued

Lattice constants

a h c /3

o A

o Ao A

1963 National Bureau of Standards at 26 °C- 5. 195 11. 701 5. 092 90. 38°

hkl

Internal Standard

Silver, o = 4.0861 A

Cu, 1.5405 A at 26 °C.

d /

o A

020 5. 847 2 110 4. 749 23

Oil 4. 670 27

130 3. 120 32

031, 121 3. 095 100

T21 3. 082 96

040 2. 924 26

200 2. 598 12

002 2. 546 14

220 2. 374 1

141 2. 282 6

141, 211 2. 277 6

211 2. 264 11 112 2. 250 9

112 2. 239 7

150 2. 133 7 051 2. 127 11

O O 1 231 1. 995 5

231 1. 988 3

132 1. 976 5

T32 1. 970 7 060 1. 949 4

240 1. 943 15

042 1. 920 16

202 1. 824 6

202 1. 812 8

222 1. 726 2

161 1. 719 18

161 1. 717 17

310 1. 713 3

013 1. 680 3

251 1. 648 2

251 1. 644 3

152 1. 639 2 152 1. 633 2

170 1. 591 4

071 1. 587 5

330, 321 1. 582 10

321 1. 5757 9

123 1. 5580 8

033 1. 5562 4

Internal Standard

Silver, a = 4.0861 A

hkl Cu, 1.5405 A at 26 °C.

d I

A

T23 i. OD^^ t

1. 5482 11

1. 5405 5

1. 4625 3

312 1. 4167 2

143, 213 I. 4146 O

£i 9 1^ 1. 4067 <1

uoo 1. 3744 1 181 971 1. 3566 2

T72 1. 3481 3

351 11 9fi9 1. 3318 1

1. 2989 2

9sn 1. 2747 4

004 1. 2725 4

082 1. 2683 4

1. 2598 2

1 1. 2566 3

361 1. 2536 4

163 1. 2447 3

163 1. 2417 3

352, 253 1. 2175 2

253 1. 2117 1 370 1. 2028 1

431 1. 1958 <1

073, 323 1. 1906 2 440 1. 1871 3

323 1. 1831 4

044 1. 1670 1

402 1. 1600 <1

204 1. 1461 1 282 1. 1411 1

The density of high form bismuth orthovanadate calculated from NBS lattice constants is 6.951 g/cm^ at 26 °C.

References

[1] R. S. Roth and J. L. Waring, Synthesis and stability

of bismutotantalite, stibiotantalite, and chemically

similar ABO4 compounds, Am. Mineralogist 48, No.

11, 12, 1348-1356 (1963).

[2] R. B Ferguson, The crystallography of synthetic

YTa04 and fused fergusonite, Bull. Geol. Soc. Amer.

66, 1557 (1955).

15
Bismuth Telluride (tellurobismuthite), Bi2Te3 (trigonal)

Powder data cards

<^arci T J index source number lines

8-21 3. 22 Thompson [1].

2. 37

2. 19

10-54 2. 03 Vasenin and Konovalov [2]. 3. 20

3. 25

are:

. The sample was a gray opaque powder.

The d-values of the three strongest Hnes

3.222, 2.376, and 2.192 A.

Structural data. Lange [4] in 1939 determined

that bismuth telluride has the tetradymite structure with the space group D^a-R3m (No. 166) and

3(Bi2Te3) per unit hexagonal cell.

Lattice constants

Additional published patterns. Harcourt [3] 1942.

NBS sample. The sample of bismuth telluride

was obtained as a single crystal from Semitronics

Inc., Winchester, Mass. Spectrographic analysis

showed the following impurities: 0.0001 to 0.001

percent each of magnesium and silicon.

hkl (JiPT ^

Internal Standard, „ Tungsten, a = 3. 1648 A

Cu, 1.5405 A at 25 °C

d /

oA

003 10. 16 3

006 5. 078 7 101 3. 767 3 104 3. 398 < 1 015 3. 222 100

018 2. 689 2

I-O-IO O 1 u 9fi O-l-ll 2. 238 4

110 2. 192 24

113 2. 142 1 0-015 2. 031 5

116 2. 113 4

1-0-13 1. 995 2

0-1-14 1. 890 <1

205 1. 812 8

1-0-16 1. 702 2

0-0-18 1. 693 <1

0-2-10 1. 611 6

2-0-11 1. 565 <1

1-1-15 1. 4901 7

0-2-13 1. 4756 1 0-0-21 1. 4513 <1

0-1-20 1. 4140 3

125 1. 3970 6 0-2-16 1. 3449 1

1-1-18 1. 3404 <1

2-1-10 1. 2986 3 300 1. 2660 2 0-1-23 1. 2514 <1

2-1-13 1. 2242 <1

1-1-21 1. 2103 <1

2-0-20 1. 1886 <1

1-0-25 1. 1610 <1

2-1-16 1. 1464 <1

0-1-26 1. 1201 <1

a c

o A

o A

1940 Frondel [5] 4. 39 30. 7 1940 Peacock and Berry [6].. 4. 384 30. 45

1951 Donges [7]. ... 4. 35 30. 3

1954 Semiletov [8]. 4. 39 30. 46

1963 National Bureau of Standards at 25 °C.. 4. 3852 30. 483

The density of bismuth telluride calculated from

the NBS lattice constants is 7.857 g/cm^ at 25 °C.

hkl (hex.)

Internal Standard, „ Tungsten, a = 3.1648 A

Cu, 1.5405 A at 25 °C

d /

o A

220 1. 0963 <1

2-0-23 1. 0868 <1

3-0-15 1. 0744 <1

1-0-28 1. 0464 <1

315 1. 0379 <1

0-2-25 1. 0261 <1

0-0-30 1. 0163 <1

2-0-26 . 9978 <1

1-3-10 . 9956 2

1-2-23 . 9738 <1

2-2-15 . 9649 <1

3-0-21 . 9540 <1

1-0-31 . 9518 <1

0-2-28 . 9444 <1

045 . 9382 <1

2-1-25 . 9294 <1

0-1-32, 0-0-33 . 9238 <1

1-2-26, 3-1-17 . 9080 <1

4-0-10 . 9064 <1

2-2-21 . 8750 <1

2-1-28 . 8673 2

3-1-20 . 8666 <1

235 . 8626 <1

1-1-33 . 8512 <1

0-1-35 . 8488 <1

3-2-10 . 8377 <1

410 . 8286 <1

J

16
Bismuth Telluride (tellurobismuthite), BizTes (trigonal) —Continued

References

[1] R. M. Thompson, The telluride minerals and their occurrence in Canada, Am. Mineralogist 34, 342-

382 (1949).

[2] F. I. Vasenin and P. F. Konovalov, Ionization x-ray

structure investigation of bismuth telluride, J. Tech.

Phys. 26, part 7, 1376 (1956).

[3] G. A. Harcourt, Tables for the identification of ore minerals by x-ray powder diffraction, Am. Mineralogist 27, 100 (1942).

[4] P. W. Lange, Ein vergleieh zwischen Bi2Te3 und

Bi2Te2S, Naturwissenschaften 27, 133 (1939)

.

Bismuth Trioxide (bismite), alph;

Powder data cards.

Card Index Source

numbers lines

6-0294 3. 26 Sill6n [1] 1941.

1. 96

1. 75

6-0307 3. 23 Frondel [2] 1943.

2. 68

1. 67

NBS sample. The sample of bismuth trioxide

was obtained from Johnson, Matthey, and Co.,

Ltd. Their spectrographic analysis showed the

following major impurities: less than 0.001 percent each of silicon aluminum, lead, silver, and

sodium.

The color of the sample was light yellow. The

refractive indices were too high to be determined

by the usual liquid-grain immersion method.

The values of the three strongest lines are: 3.253, 2.693, and 2.708 A.

Structural data. Sill6n [1] in 1941 determined

that alpha bismuth oxide is monoclinic or pseudoorthorhombic having the monoclinic space group

C^2h-P2i/c (No. 14), with 4(Bi203) per unit monoclinic cell, or 8(Bi203) per unit pseudo-orthorhombic cell. According to Sillen [1], the

monoclinic indices hkl are transformed into the

pseudo-orthorhombic indices h'k'l' by the following relations

h'=h, k'=k, (±) l'=2l-h

The lattice constants reported by Sill6n have

been converted from kX to angstrom units for

comparison with the NBS values.

[5] C. Frondel, Redefinition of tellurobismuthite and

vandiestite. Am. J. Sci. 238, 880-888 (1940).

[6] M. A. Peacock and L. G. Berry, Rontgenographic

observations on ore minerals, Univ. Toronto

Studies Geol. Ser. 44-48, 67 (1940-1943).

[7] E. Donges, Uber Chalkogenohalogenide dreiwertigen Antimons und Wismuts III. tlber Tellurohalogenide des dreiwertigen Antimons und Wismuts und

liber Antimon und Wismut III-Tellurid und Wisraut

Ill-Selenid, Z. anorg. allgem. Chem. 265, 56 (1951).

[8] S. A. Semiletov, An electron diffraction study of films

of Bi-Se and Bi-Te prepared by evaporation, Trudy

Inst. Krist. Akad. Nauk SSSR 10, 76-83 (1954).

Bi203 (pseudo-orthorhombic)

hkJ

Internal Standard, „ Tungsten, a = 3.1648 A

Cu, 1.5405 A at 25 °C

d 7

o A

120 5. 276 2 111 4. 498 4

^uu 9nn 4. 084 4

vox 3. 622 8

990 3. 517 2

040 3. 456 19

131 3. 310 33

91 1 i. 253 100

1 AO 3. 184 25

2. 753 6

231 2. 708 38

022 2. 693

i. 638 6

1 99 2. 559 15

Q9n 2. 532 9

051 2. 499 7 311 2. 429 6

lOi 2. 390 "1 A 14

099 2. 244 6

2. 176 6

142 2. 154 5 340 2. 138 2 251 2. 132 8

400 2. 041 2

260 2. 0064 5

302 1. 9922 4

242, 420 1. 9584 26

013 1. 9317 <1

322 1. 9136 2 411 1. 9098 4

113 1. 8787 9

071 1. 8720 17

351 1. 8409 6

171 1. 8237 7 062 1. 8087 1

033 1. 7967 <1

431 1. 7790 2 162 1. 7660 8

360 1. 7590 9

133 1. 7549 6

17
Bismuth Trioxide (bismite), alpha Bi203 (pseudo-orthorhombic)—Continued

Internal Standard,

Tungsten, a=3.1648 A

hkl Cu, 1.5405 A at 25 °C

a 1

o

A A

213 1. 7452 16

342 1. 7265 12

180 1. 0914 1 402 1. d743

262 1. o561 10

233 1. 6431 10

422 1. 6273 2 053 1 E no c oO

280 1. oy/u ID 451 1 e o 1 e

1. 5815 7

313 1. 5754 3

153, 511 1. 5632 6

442 1. 5065 6

333 1. 4994 5 531 1. 4888 5

091 1 A A 1. 4854 6

004 1. 4625 5 104 1. 4391 1 124 L 4093 3

282 1. 3983 6

073 1. 3882 1 471 1. 3792 3

551 1. 3672 4

I-IO-O 1. 3637 3

433 1. 3485 3

044 1. 3462 3

Lattice constants

a b c

o Ao Ao A

1941 Sill6n [1] 8. 16 13. 81 5. 84

1963 National Bureau

of Standards at 25 °C 8. 166 13. 827 5. 850

The density of alpha bismuth trioxide calculated from NBS lattice constants is 9.371 g/cm^

at 25 °C.

References

[1] L. G. Sill6n, On the crystal structure of monoclinic

a-BiaOs, Z. Krist. 103, 274-290 (1941).

[2] C. Frondel, Mineralogy of the oxides and carbonates

of bismuth, Am. Mineralogist 38, Nos. 9 and 10. 521-535 (1943).
Cadmium Perchlorate Hexahydrate, Cd(C104)2* 6H2O (trigonal)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of cadmium perchlorate hexahydrate was obtained from the City

Chemical Corp., New York, N.Y. Spectrograp>hic

analysis showed the following major impurities:

0.0001 to 0.001 percent each of lead and silicon.

The sample was colorless and optically negative

with indices of refraction No= 1.490 and Ne=

1.479.

The rf-values of the„ three strongest lines are: 3.995, 4.223, and 2.902A.

Structural data. West [1] in 1935 rep»orted that

cadmium perchlorate hexahydrate is trigonal, the

space group CL-P3ml (No. 156) with l[Cd(C104)2-

6H2O] per unit cell. West reported that the

structure is very similar to the hexagonal magnesium perchlorate structure. Moss, Russell, and

Sharp [2] confirmed West's determinations. The

value of "a" reported by West has been divided

by 2 as he suggested. The unit cell values reported

by West have been converted from kX to angstrom

units for comparison with the NBS values.

Lattice constants

a c

o AoA

1935 West [1] 7. 92 5. 30

1963 National Bureau of Standards at 25 °C.- 7. 9939 5. 3304

The density of cadmium perchlorate hexahydrate calculated from the NBS lattice constants

is 2.361 g/cm^ at 25 °C.

References

[1] C. D. West, The crystal structures of hydrated compounds. II. Structure type Mg(C104)2-6H20, Z. Krist. A91, 480-493 (1935).

[2] K. C. Moss, D. R. Russell, and D. W. A. Sharp, The

lattice constants of some metal fluoroborate hexahydrates, Acta Cryst. 14, 330 (1961).

flKl

Internal Standard, „ Tungsten, a = 3. 1648 A

Cu, 1.5405 A at 25 °C

d /

o A

1 Art

6. 921 25

uui 5. 326 17

1 rti lUl 4. 223 75

1 1 rt ill) 3. 995 100

200 3. 463 4

111 111 3. 197 51

2. 902 66

UUz 2. 667 2

0 1 rt 2. 617 1 102 2. 489 18

Ol 1 Zl 1 2. 350 25

Qrtrt 2. 309 9

1 1 o

2. 217 7

Qrt 1 2. 117 26

202 2. 1119 27

1. 9985 19

Q 1 rt olU 1. 9201 8

zlz 1. 8670 37

oil 1. 8064 9

003 1. 7771 3

QrtO

1. 7446 6

1 AO lUo 1. 7205 7

/I A

1

401 1. 6463 4

113 1. 6231 3

320 1. 5880 4

orto Z\)6 1. 5808 9

1. 5577 5

6/1 1. 5223 6

410 1. 5107 6

213 1. 4700 5

Alt 411 1. 4539 11

1. 4519 11

303 1. 4078 2

o no

1. 3642 3

501 1. 3402 4

Art 4 OOrt UU4, ooO 1. 3325 4

A OA 4z0 1. 3082 2

O 1 o 313 1. 3042 5

.421 1. 2705 4

114 1. 2641 4

OA A 204 1. 2438 3

403 1. 2400 3

502 1. 2287 2 511 1. 2107 5

214 1. 1872 2

323 1. 1841 3

422 1. 1743 3

600 1. 1537 3

413 1. 1510 3

512 1. 1270 3

224 1. 1088 3
Cadmium Sulfate, CdS04 (orthorhombic) !

Powder data cards

Card

number

Index

lines Source

3-0453 3. 30

2. 97

2. 35

Dow Chemical company.

Additional published patterns. None.

NBS sample. The sample of cadmium sulfate

was prepared at NBS from cadmium carbonate

treated with an excess of sulfuric acid and heated

to dryness. Spectrographic analysis showed the

major impurities to be 0.001 to 0.01 percent each

of aluminum and silicon.

hkl

Internal Standard, „ Tungsten, a= 3.1648 A

Cu, 1.5405 A at 25 °C

rl /

oA 001 A 701 1 7 110 O. O^D 4.1 101 1 no u^u 3. 277 79

111 2. 961 68

021 9 fi88 aD 200 9^. ooo

002 9 Qf;9 ^9

2. 336 37

012 2. 212 24

201 0 1 r\A A OAZD

211 94. nOfiR UUOo 1±oS

031 1. 9827 22

1. 9155 21

131 1. 8273 17

122 1. 7704 19

202 1. 6648 3

040 1. 6391 12 212 1. 6135 18

032 1. 6004 11

041 1. 5485 3

310 1. 5290 8

013 1. 5250 7 231 1. 5179 7 301 1. 4908 6

222 1. 4843 4

141 1. 4704 9

311 1. 4537 7 113 1. 4497 17

321 1. 3571 11

240 1. 3459 6

232 1. 3243 9 302, 203 1. 3059 4

142 1. 2934 8

051, 150 1. 2634 1

331 1. 2317 7

133 1. 2293 11 151 1. 2204 5

The sample was white. The indices of refraction could not be determined because the sample

was too fine.

The c?-values of the three strongest lines are: | 3.329, 3.277, and 2.961 A.

Structural data. Kokkoros and Rentzeperis [1]

j in 1961 determined cadmium sulfate is orthorhombic with the most probable space group Dz*- I Pmmn Qso. 59) with 2(CdS04) per unit cell. Lattice constants

a b c

oA

oA

oA

1961 Kokkoros and 4. 709 6. 562 4. 694

Rentzeperis

[1]. 1963 National Bureau 4. 7174 6. 5590 4. 7012

of Standards

at 25 °C.

The density of cadium sulfate calculated from

NBS lattice constants is 4.759 g/cm^ at 25 °C.

hkl

Internal Standard, „ Tungsten, a =3. 1648 A

Cu, 1.5405 A at 25 °C

d I

o A

322 1. 2140 6

223 1. 2127 4

400 1. 1794 3

014 1. 1570 3

052 1. 1454 5 114 1. 1235 3

251 1. 1136 3

420, 303 1. 1100 3

024 1. 1062 5 341 1. 1032 4

313 1. 0943 6

060 1. 0933 5

421 1. 0798 2 124 1. 0777 2 204 1. 0519 4

412 1. 0407 7

161 1. 0387 6

252 1. 0305 3 342 1. 0221 2 134 1. 0113 3

224 1. 0016 3

260 0. 9918 3

333 . 9897 5

351, 153 . 9839 4

261 . 9702 3 440 . 9576 3

044 . 9552 4

432 . 9498 5

[1] P. A. Kokkoros and P. J. Rentzeperis, X-ray investigation of the anhydrous cadmium and mercuric ! sulphates, Acta Cryst. 14, 329-330 (1961). i

20
Cadmium Telluride, CdTe (cubic)

Powder data cards

Card

Number

Index

Lines

Source

10-207 3. 74

2. 29

1. 95

Vaughan [1].

Additional published patterns. None.

NBS sample. The sample of cadmium telluride

was obtained from Semi-Elements Inc., Saxonburg, Pa. Spectrographic analysis showed the

following impurities: 0.01 to 0.1 percent silicon

and 0.0001 to 0.001 percent each of barium, iron,

and lead.

The sample was a black opaque powder.

The (^-values of the^three strongest lines are: 3.741, 2.290, and 1.954 A.

Structural data. Zachariasen [2] in 1926 determined that cadmium telluride has the zinc sulfide

structure, the space group Td-F43m (No. 216),

and 4(CdTe) per unit cell. The lattice constants

of Zachariasen and Goldschmidt have been con- verted from kX to angstrom units for comparison

with the NBS value.

Lattice constant

oA

1926 Zachariasen [2] . 6. 477

1926 Goldschmidt [3] 6. 453

1963 National Bureau of Standards

at 25 °C 6. 481

The density of cadium telluride calculated from

the NBS lattice constant is 5.856 g/cm^ at 25 °C.

Internal Standard,,,

Tungsten, a = 3.1648 A

hkl Cu, 1.5405 A at 25 °C

a / a

o

AA A

111 3. 742 lUO 6. 481

220 2. 290 0. 479

311 1. 954 6. 4o/

400 1. 019 6 D. 476

331 1. 4ao 9 6. 484

422 1. 323 10 6. 482

511 1 94.7 4 6. 481

440 1. 146 2 6. 480

531 1. 095 4 Q. 479

620 1. 025 4 6. 481

533 0. 9884 2 6. 481

444 . 9356 <1 6. 482

711 . 9076 2 6. 481

642 . 8661 3 6. 481

731 . 8438 3 6. 482

Average value of last five lines 6. 481

References

[1] D. A. Vaughan, Battelle Memorial Institute, Columbus, Ohio.

[2] W. H. Zachariasen, Ubcr die Kristallstruktur der

Telluride von Beryllium, Zink, Cadmium, und

Quecksilver, Z. physik Chem. 124, 277 (1926).

[3] V. M. Goldschmidt, Geochemische Verteilungsgesctze

der Elements VII Die Gesetze der Krystallochemie,

Skrifter Norske Videnskaps-Adad. Oslo, I: Mat.

Naturv. KI. No. 2 (1926).

728-345 O—64 4

21
Calcium Fluoride Phosphate (fluorapatite), Ca5F(P04)3 (hexagonal)

Powder data cards

Card Index Source

number lines

3-0736 2. 81 McConnell [4] 1937.

2. 71

1. 84

12-261 2. 82 Carobbi and Mazzi [13] 1959.

2. 72

2. 26

hki

Internal Standard, „ Tungsten, a = 3.1648 A

Cu, 1.5405 A at 25 °C

d I

A

100 8. 12 8

101 5. 25 4

110 X l.\J 4. 684 <1

200 4. 055 8

111 3. 872 8

201 3. 494 <1

002 3. 442 42

102 3. 167 13

210 3. 067 17 211 2. 800 100

112 2. 772 54

300 2. 702 62

202 2. 624 29

301 2. 517 6

212 2. 289 7

310 2. 250 22

221 2. 218 3

31

1

2. 140 6

302 2. 128 3

113 2. 061

2. 028 1 90'? 1. 997 4

999 1. 937 26

312 1. 884 14

320 1. 862 4

91 % 1. 837 32

321 1. 797 15

410 1. 771 13 402 1. 748 13 004 1. 722 15

104 1. 684 <1

322 1. 637 6

313 1. 607 3

501 1. 580 1 330 1. 562 <1

420 1. 534 5 331 1. 524 4

214 1. 501 4 421 1. 497 4

502 1. 468 8

510 1. 457 4

304 1. 452 7 323 1. 446 6

Additional published patterns. Ndray-Szab6

[2] 1930, Bale [6] 1940.

NBS sample. The sample of calcium fluoride

phosphate was prepared at NBS by J. H. deGroot.

A mixture of calcium fluoride and tricalciuin

orthophosphate was heated in a covered platinum

dish to 1250 °C. Spectrographic analysis showed

the following major impurities: 0.1 to 1.0 percent

each of magnesium and sodium; and 0.01 to 0.1

percent each of aluminum, barium, germanium,

iron, silicon, and strontium.

hkl

Internal Standard, „ Tungsten, a = 3. 1648 A

Cu, 1.5405 A at 25 °C

d /

A

511 1. 426 5 332 1. 422 4

413 i. 4U15 2 CIO 512 1. 3418 2

4oU 1. 3336 <1 AO t 431 1. 3095 3

1. 2995 2

521 i. 27do QO

1. 2748 2

1. 2635 <1

1. 2560 3

1. 2438 2

610 1. 2372 4

414 1. 2341 6 one

1. 2271 9

oil 1. 2176 4

coo 522 1. 2154 3

504 1. 1805 <1

315 1. 1743 <1

440 1. 1709 1 334 1. 1563 2 433 1. 1532 3

006 1. 1474 1 424 1. 1448 2 106 1. 1359 <1

523 1. 1306 <1

116 1. 1144 3

514 1. 1118 2

1. 1069 2

702, 532 1. 0984 5

710, 216 1. 0745 <1

622 1. 0694 <1

524 1. 0368 <1

703, 533 1. 0346 <1

335 1. 0326 2 226 1. 0303 2 712 1. 0257 2

630, 316 1. 0221 2 800 1. 0140 1 631 1. 0110 1 614 1. 0047 1 406 0. 9986 <1

22
Calcium Fluoride Phosphate (fluorapatite), Ca5F(P04)3 (hexagonal) —Continued

The sample was colorless and optically negative

with the indices of refraction No= 1.633 and Ng = 1.628.

The (Z-values of the three strongest lines are:

2.800, 2.702, and 2.772 A.

Structural data. Hentschel [1] in 1923 determined that fluorapatite has the space group

CL-P6/m (No. 176) and 2[Ca5F(PO,)3] per unit

cell.The density of synthetic fluorapatite calculated

from the NBS lattice constants is 3.201 g/cm^ at

25 °C.

Lattice constants

a c

A A

1923 Hentschel [1] {I

33

43

6.6. 83

89

1930 Ndray-Szab6 [2] 9. 39 6. 89

1931 Mehmel [3] 9. 38 6. 86

1939 Thewlis, Glock, and Murray [5] 9. 38 6. 88

1940 Bale [6] 9. 39 6. 89

1941 Klement and Dihn [7] _ _ 9. 38 6. 89

1946 Beevers and Maclntyre [8]-- 9. 39 6. 89

1950 Wallaeys and Chaudron [9] - 9. 350 6. 870

1952 Brasseur [10] _ . _ 9. 364 6. 879

1952 McConnell [11] 9. 395 6. 882

1952 Altschuler, Cisney and Barlow [12] . 9. 386 6. 878

1959 Carobbi and Mazzi [13] _ 9. 424 6. 888

1963 National Bureau of Standards synthetic sam- *9. 3684 *6. 8841 at 25 °C

ple described above.

Sample from Durango, Mex.^ 9. 3923 6. 8821 at 25 °C

Sample from Llallagua, Bolivia.'' 9. 3712 6. 8824 at 26 °C

•The error in these values was ±0.0003. "•bThese samples were obtained from the National Museum; the number of the Mexican sample is 104021, of the Bolivian sample 103869. These cell constants were derived from powder diffraction measurements made at the same time as those on the synthetic sample.

» This particular sample from Durango may not be typical because of its lanthanum content. Spectrographic analysis showed 1 to 4 percent of lanthanum

and 0.1 to 1.0 percent each of cerium and sodium as major impurities. The error on these lattice constants was ±0.0005.

b Spectrographic analysis showed major impurities to be 0.1 to 1.0 percent of manganese and 0.01 to 0.1 percent each of iron and strontium.

References

[1] H. Hentschel, Rontgenographische Untersuchungen

am Apatit, Centr. Mineral. Geol. p. 609 (1923).

[2] St. Ndray-Szabo, The structure of apatite (CaF)Ca4

(POOa, Z. Krist. 75, 387-398 (1930).

[3] M. Mehmel, Beziehungen zwischen kristallstruktur

und chemischer formel des apatits, Z. physik Chem.

B15, 223-41 (1931).

[4] D. McConnell, The substitution of SiOj- and SO4-

groups for PO4- groups in the apatite structure;

ellestadite, the end-member. Am. Mineralogist 22,

981 (1937).

[5] J. Thewlis, G. E. Glock, and M. M. Murray, Chemical

and x-Ray analysis of dental, mineral, and synthetic

apatites. Trans. Faraday Soc. 35, 358-63 (1939).

[6] W. F. Bale, A comparative roentgen-ray diffraction

study of several natural apatites and the apatitelike constituent of bone and tooth substance. Am.

J. Roentgenol. 43, 735-47 (1940).

[7] R. Klement and P. Dihn, Isomorphc Apatitarten,

Naturwissenschaften 29, 301 (1941).

[8] C. A. Beevers and D. B. Maclntyre, The atomic

structure of fluorapatite and its relation to that of

tooth and bone material, Mineralog. Mag. 27, 254

(1946).

[9] R. Wallaeys and G. Chaudron, Sur la preparation de

certaines apatites mixtes, Compt. rend. 231, 355-

357 (1950).

[10] H. Brasseur, Note sur les constantcs roticulaires et

les indices de refraction des fluor-, chlor-, et hydroxylapatites. Proceedings of the International

Symposium on the reactivity of solids, Gothenburg

Part 1, 363-7 (1952).

[11] D. McConnell, The Problem of the carbonate apatites

IV, Structural substitutions involving CO j and OH,

Bull. Soc. Franc. Mineral, et Crist. 75, 428 (1952).

[12] Z. S. Altschuler, E. A. Cisney, and I. li. Barlow,

X-Rav evidence of the nature of carbonate-apatite,

Bull. Geol. Soc. Amer. 63, 1230-31 (1952).

[13] G. Carobbi and F. Mazzi, Sulla possibiHta di una

sostituzione parziale del calcio con I'uranio nel reticolo dell' apatite, Atti. accad. naz. Lincei, Mem.

Classe Sci. Fis. Mat. Nat. Ser. II« [8] 5, 159-71

(1959).

23
Cerium Niobium Titanium Oxide (eschynite), CeNbTiOe (orthorhombic)

Powder data cards. None.

Additional published patterns. Komkov [1]

1959.

NBS sample. The sample of cerium niobium

titanium oxide was prepared at NBS by R. S. Roth from stoichiometric mixtures of cerium

oxide, niobium oxide, and titanium oxide. The

sample was heated first at 1300 °C for 3 hrs. and

then reheated at 1325 °C for three more hours.

Spectrographic analysis showed the following

major impurities: 0.001 to 0.01 percent each of

aluminum, calcium, iron, magnesium, and silicon.

The sample was a dark brown opaque powder.

The rf-values of the three strongest lines are: 2.975, 3.024, and 3.106 A.

Structural data. Komkov [1] in 1959 determined that cerium niobium titanium oxide has the

space group D^^Pmnb (No. 62) with 4 (CeNbTiOe)

per unit cell. The lattice constants reported by

Komkov have been converted from kX to angstrom units for comparison with NBS values.

Lattice constants

a b c

oAo AoA

1959 Komkov [1] 7. 56 10. 99 5. 43

1963 National Bureau of 7. 538 10. 958 5. 396

Standards at 26°C.

The density of cerium niobium titanium oxide

calculated from NBS lattice constants is 5.617

g/cm^ at 26 °C.

Reference

[1] A. I. Komkov, Minerals of the series euxenite-polycrase

and priorite-blomstrandite, Dokl. Akad. Nauk SSSR

126, 641-644 (1959).

hkl

Internal Standard, „ Tungsten, a = 3.1648 A

Cu, 1.5405 A at 26 °C

d T

o A

020 5. 48 24

Oil 4. 841 5

120 4. 431 24

101 4. 390 10

111 4. 075 13

021 3. 847 4

200 3. 773 5 121 3. 427 4

220 3. 106 36

031 3. 024 80

211 2. 975 100

131 2. 808 99

002 2 698 98

140

112 2. 474 7

041 2. 443 7

122 OKJKJ Q

320 2. 283 Qo 301 2 278 Q

240 2. 215 Qy

032 2. 170 7 132 2. 085 eO

222 2. 037 2'i 051 2. 031 1

9

151 1. 961 26

331 1. 933 11 042 1. 922 5 400 1. 885 22

142 1. 862 9

340 1. 852 9

060 1. 827 2

312 1. 813 2 420 1. 783 4

160, 013 1. 775 7

341, 103 1. 750 4

322 1. 744 6

242 1. 712 19

123 1. 667 g 260 1. 643 5 033 1. 614 eO

213 1. 606 13

431 J.. TJV/VJ 22

351 17 223 1. 556 7 440 1. 553 10

252 1. 551 10

402 1. 545 10

412 1. 528 3

342 1. 526 4

043, 071 1. 503 7

162 1. 483 4

360 1. 477 4

143, 171 1. 474 4

24
Cesium Chromate, Cs2Cr04 (orthorhombic)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of cesium chromate

was obtained from the Fairmount Chemical Co.

Inc., Newark, N.J. Spectrographic analysis

showed the following major impurities: 0.1 to 1.0

percent rubidium; 0.01 to 0.1 percent each of

potassium and sodium; and 0.001 to 0.01 percent

each of aluminum, barium, calcium, and silicon.

The color of the sample was yellow and it is optically positive. The refractive indices are N„=1.750, N^=1.753, and N^=1.762.

The (^-values of the three strongest lines are: 3.342, 3.207, and 3.364 A.

Structural data. Miller [1] in 1938 determined

that cesmm chromate has the potassium sulfate

structiire, the space group Dgh-Pnam (No. 62)

with 4(Cs2Cr04) per unit cell. The lattice constants reported by Miller have

been converted from kX to angstrom units for

comparison with NBS values.

Lattice constants

a b c

o AoAo A

1938 MUler [1] 8. 380 11. 157 6. 239

1963 National Bureau

of Standards 8. 429 11. 190 6. 302

25°C ±0. 001 ±0. 001 ±0. 001

The density of cesium chromate calculated from

the NBS lattice constants is 4.266 g/cm^ at 25 °C.

Reference

[1] J. J. Miller, The structure of CsjCrOi, Z. Krist. 99A,

32-37 (1938).

hkl

Internal Standard, „ Tungsten, a = 3.1648 A

Cu, 1.5405 A at 25 °C

d /

o A

120 4. 66 8

111 4. 602 9

200 4. 213 8

210 3. 946 20

121 3. 749 69

201 3. 505 18

130 3. 411 21 220 3. 364 77

211 3. 342 100

031 3. 207 87

002 3. 150 66

131 2. 998 8

221 2. 969 17

230 2. 794 24

310 2. 725 34

140 2. 654 11 122 2. 611 15

231 2. 554 6

311 2. 501 6

212 2. 463 17

141 2. 449 17

321 240 2. 331 13

132 2. 314 31

222 2. 301 29

330 2. 244 13

241 2. 186 8

150 2. 163 15

051 400 2. 109 10

232 2. 090 15

312 2. 062 15

113 2. 004 10

401 1. 999 9

340 1. 982 7 250 1. 977 10

420 1. 971 14

411 1. 967 8

123 1. 9152 8

341 1. 8911 26

242 1. 8743 7 060 1. 8653 6

213 1. 8542 13

430 1. 8349 6

033 ±. OOL/O 1 Q

332 1. 8280 8

152 1. 7833 16

431 1. 7615 4

402 1. 7521 11

1. 7499 6

2^0 1. 7060 4

143 1. 6474 7

441 1. 6263 6
Cesium Fluoride, CsF (cubic)

Powder data cards

/~1 1 Card

number

Index

lines Source

1-0872 3. 00

2. 12

3. 48

Davey [1] 1923.

Additional published patterns. None.

NBS sample. The sample of cesium fluoride

was obtained from Semi-Elements Inc., Saxonburg, Pa. X-ray patterns were prepared from

samples maintained in dry air because of the

deliquescense. Spectrographic analysis showed

the following impurities: 0.1 to 1.0 percent

potassium; and O.OQl to 0.01 percent each of

aluminum, calcium, copper, iron, lithium, magnesium, nickel, silicon, and sodium. The amount

of rubidium impurity was not determined. The

sample was colorless.

The c?-values of the three strongest lines are: 3.003, 3.469, and 2.125 A.

Structural data. Posnjak and Wyckoff [2] in

1922 determined that cesium fluoride has the

sodium chloride structure, the space group Oh

FmBm (No. 225), and 4 (CsF) per unit cell. The

unit cell measurements reported by Davey,

Posnjak, and Wyckoff, have been converted from

kX to angstrom units for comparison with the

NBS value.

Lattice constants

Internal Standard, „ Tungsten, a = 3. 1648 A

hkl Cu, 1.5405 A at 25 °C

d / (X

o A

o A

111 3. 469 81 6. 008

200 3. 003 100 6. 007

220 2. 125 37 6. Oil

311 1. 8131 25 6. 013

222 1. 7366 10 6. 016

400 1. 5036 7 6. 014

331 1. 3798 6 6. 014

420 1. 3446 10 6. 013

422 1. 2278 5 6. 015

511 1. 1576 4 6. 015

440 1. 0630 2 6. 013

531 1. 0166 3 6. 014

600 1. 0024 3 6. 014

620 0. 9512 4 6. 016

533 . 9173 1 6. 015

622 . 9067 2 6. 014

711 . 8420 2 6. 013

642 . 8036 1 6. 014

731 . 7830 2 6. 014

Average value of last five lines 6. 014

A

1922 Posnjak and Wyckoff [2] 6. 04

1923 Davey [1] _ . . 6. 020

1963 National Bureau of Standards at 25 °C. 6. 014

The density of cesium fluoride calculated from

the NBS lattice constant is 4.638 g/cm^ at 25 °C.

References

[1] W. p. Davev, Precision measurements of crystals of the alkali halides, Phys. Rev. 21, 143-61 (1923).

[2] E. Posnjak and R. W. G. Wyckoff, The crystal struc- tures of the alkali halides II, J. Wash. Acad. Sci. 12, 248-51 (1922).

26
Cobalt Fluosilicate Hexahydrate, CoSiFe'GHzO (trigonal)

Powder Data cards. None.

Additional published patterns. None.

NBS sample. The sample of cobalt fluosilicate

hexahydrate was obtained from the City Chemical

Co., New York, N.Y. Spectrographic analysis

showed the following major impurities: 0.01 to 0.1

percent each of aluminum, copper, magnesium,

nickel, and sodium; and 0.001 to 0.01 percent each

of calcium, iron, and manganese.

The color of the sample was pink. The indices

of refraction were too low to be measured by the

usual liquid grain immersion method.

The (/-values of the three strongest lines are: 4.69, 4.18, and 2.595 A.

Structural data. Hassel and Richter-Salvesen

[1] in 1927 determined that cobalt fluosilicate

hexahydrate has the nickel chlorostannate structure, the space group CsVRSm (No. 160), and

l[CoSiF6-6H20] per unit rhombohedral cell, or sICoSiFe 6H2O] per unit hexagonal cell. The unit

cell measurements of Hassel and Richter-Salvesen

have been converted from kX to angstrom units

for comparison with the ISBS values.

Lattice constants

a c

0 A

0 A

1927 Hassel and RichterSalvesen [1]_ 9. 35 9. 69

1962 National Bureau of Standards at 25 °C.- 9. 370 9. 732

The density of cobalt fluosilicate hexahydrate

calculated from the NBS lattice constants is 2.081 g/cm^ at 25 °C.

hkl

(hex.)

Internal Standard, „ Tungsten, a = 3. 1648 A

Co, 1.7889 A at 25 °C

d /

0 A

110 4. 69 100

102 4. 18 63

202 3. 116 5 211 2. 927 11 113 2. 668 5

122 2. 595 29

104 2. 331 2

311 2. 193 3

024 2. 086 1 303 2. 078 }

®

312 2. 042 <2

401 1. 986 3

214 1. 907 1 223 1. 900 }

042 1. 872 5

321 1. 829 <2

410 1. 771 4

232 1. 738 3

134 1. 652 7 330 1. 562 <^2

413 1. 555 <2

502 1. 540

324 1. 479 2 422 1. 462 <'2 \ — 152 1. 397 2

306 1. 3916 2

600 1. 3524 <2

226 1. 3335 <2

520 1. 2993 5 244 1. 2969 4

1. 2868 2

018 1. 2028 <2

416 1. 1963 <2

440 1. 1712 <2

532, 072 1. 1279 <2

Reference

[1] 0. Hassel and J. Richter-Salvesen, Uber den Kristallbau

der trigonal kristallisierenden heteropolaren Verbindungen von der Zusammensetzung MGe-LRj und

MG5D.LR6 und MG4D2LR6, Z. physik. Chem. 128,

345-361 (1927).

27
Cobalt Perchlorate Hexahydrate, Co(C104)2*6H20 (hexagonal)

Powder data cards- None.

Additional published patterns. West [1] 1935.

NBS sample. The sample of cobalt perchlorate hexahydrate was obtained from the City

Chemical Corp., New York, N.Y. Spectrographic

analysis showed the following major impurities:

0.01 to 0.1 percent of nickel, and 0.001 to 0.01

percent each of copper, magnesium, and silicon.

The color of the sample was pink. It is optically negative with the indices of refraction

Ne=-1.492 and No=1.512.

The c?-values of the three strongest lines are: 3.900, 4.139, and 2.840 A.

Structural data. West [1] in 1935 determined

that cobalt perchlorate hexahydrate has the

magnesium perchlorate hexahydrate structure,

the space group Dgh-PB/mmm (No. 191), and

4[Co(C104)2-6H20] per unit cell. The lattice constants of West have been converted from kX to

angstrom units for comparison with the NBS

values.

Lattice constants

a c

oA A

1935 West [1] 15. 55 5. 21

1963 National Bureau of 15. 610 5. 2372

Standards at 26 °C. ±. 002 ±. 0007

The density of cobalt perchlorate hexahydrate

calculated from the NBS lattice constants is 2.199 ±0.001 g/cm^ at 26 °C.

hkl

Internal Standard,

Silver, a= 4.0861 A

Co, 1.7889 A at 26 °C

d /

200

101

111

201

220

o A

6. 763

4. 881

4. 345

4. 139

3. 900

3

4

3

62

100

211

311

401

002

420

3. 661

3. 052

2. 840

2. 618

2. 556

2 <2

60

8

3

202

421

600

402

601

2. 440

2. 296

2. 253

1

2. 069

3

10

3

8

440

620

422

441

621

1. 952

1. 874

1

1. 828

1. 7655

9

2

10

6

640

641

820

802

821

1. 6907

1. 5502

1. 4869

1. 4753

1

1. 4201

2

3

2

4

2

443

660

224

1

1. 3011

1. 2413

4

2

Reference

[1] C. D. West, The crystal structures of hydrated com- pounds II. Structure type Mg(C104)2-6H20,

Z. Krist. A 91, 480 (1935).

28
Copper Sulfate (chalcocyanite), CUSO4 (orthorhombic)

Powder data cards

Card

J-L U111 U J. Irdex

lines Source

12-779 2. 62

4. 20

3. 55

Hanawalt, Rinn, and Frevel

[1] 1938.

I Additional published pattern. Pistorius [2] 1960.

NBS sample. The sample of copper sulfate

was obtained from the NBS laboratories in

Boulder, Colo. The sample was ground and

fumed off with sulfuric acid and placed immediately in a dry atmosphere. Special care was

necessary to keep it anhydrous. The sample

was mounted in a holder which maintained a dry

atmosphere while the patterns were run. 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, magnesium, and nickel.

The sample was colorless. The indices of

refraction could not be obtained because the

sample was too fine.

The (Z-values of the three strongest lines are: 3.549, (2.616 and 2.611), and 4.187 A.

Structural data. Kokkoros and Rentzeperis

[3] in 1958 determined that copper sulfate has the

space group D^g-Pmnb (No. 62) and 4(CuS04)

per unit cell. Rama Rao [4] in 1961 made

refinements on the structure.

Lattice constants

a b c

o A AoA

1958 Kokkoros & 6. 69 8. 39 4. 83

Rentzeperis

[3]. 1960 Pistorius [2] 6. 811 8. 391 4. 791

1963 National Bureau 6. 6982 8. 3956 4. 8291

of Standards ± 0. 0006 ± . 0006 ± . 0004

at 26 °C.

References

[1] J. D. Hanawalt, H. W. Rinn, and L. K. Frevel,

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

Chem. Anal. Ed. 10, 457-512 (1938).

[2] C. W. F. T. Pistorius, Lattice constants and probable

space group of anhydrous cupric sulfate (artificial

chalcocyanite), Am. Mineralogist 45, 744-746 (1960).

[3] P. A. Kokkoros and P. J. Rentzeperis, The crystal structure of the anhydrous sulfates of copper and

zinc, Acta Cryst. 11, 361 (1958).

[4] B. Rama Rao, A note on the crystal structure of anhydrous copper sulfate. Acta Cryst. 14, 321

(1961).

The density of copper sulfate calculated from

the NBS lattice constants is 3.903 g/cm^ at 26 °C.

Internal Standard,

Silver, a == 4.0861 A

flfCl Cu, 1.5405 A at 26 °C

ii J1

oA Ui 1 4 1 87 77

1 m aD

111 111 TOO

200 3. 346 3

021 3. 172 4

191 9

9 fil 1 91 1 9^. fil oil1 \ 95

031 2. 421 I 50

002 2. 416

n 1

9

viz 9 ^9

1

^. OZ 1 1 u 99 1 9 "^01 ^. OUl 1 9

z. uyo 7 301 2. 027 3

140 2. 003 4

Q9n Q 1

1

o^U, oil 11. Q71 y /

1

Q

9*3 1 1. yoo 1 o 999 11. 774.Q it 98

400 11 fi74.Q . o / tty 1 9

042 1. 5843 11

Uio 1. OoUO 1 0

1. ODOU 9il A 9n 1. OOOO co 101 1 ^1 1. tJ^OO •x*J 341 1. 4578 <1

ZOl 1 A.'X^VX 1. ^ooU 22

91 Q zio 1. '±zyo

HAH 1. oyyo 4. A n9 1. o / uU 19

422 1. 3073

I 5 303 1. 3056 / ^

1 90 1 O 1. /yiy

O 1 o 11. 9on9 /yuz J OZU, oil 1 97^*3 L. HDo

062 1. 2107 3

004 1. 2075 2

C\'\ A U14 1 1 0/1 c 1. iy4o

} 2 lo2 1 1 O 1 Q 1. lyio J

/I /I 9 1 1 C^HQ 1. lOUo 1 413 1. 1496 }

^ 214 1. 1258 3

1. 0964 4

DiU, oil 1. 0790 5

4d3 1. 0721 4

371 1. 0323 <1

181 631 1. 0138 1

244 0. 9990 3

622 . 9850 3

462 . 9812 4

424 . 9536 3

282 . 9249 2

728-345 0^64 5 29
Dysprosium Arsenate, DyAs04 (tetragonal)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of dysprosium

arsenate was prepared at NBS from a water solution of dysprosium trichloride and arsenic

pentoxide. The sample was dried at 110 °C.

Spectrograph ic analysis showed the following

major impurities: 0.01 to 0.1 percent antimony

and 0.001 to 0.01 percent each of calcium,

magnesium, lead, and sUicon.

The sample is colorless. The indices of

refraction could not be determined because the

sample was too fine.

The rf-values of the three strongest lines are: 3.537, 2.669, and 1.8246 A.

Structural data. Durif and Forrat [1] in 1957

determined that dysprosium arsenate has the

zircon structure with the space group Dlh-/4i/amd

(No. 141) and 4[DyAs04] per unit cell.

Lattice constants

a c

o Ao A

1957 Durif and Forrat [1] 7. 09 6. 315

1963 National Bureau of 7. 0733 6. 3133

Standards at 25 °C. ±0. 0003 ±0. 0003

The density of dysprosium arsenate calculated

from the NBS lattice constants is 6.338 g/cm^ at

25 °C.

Reference

[1] A. Durif and F. Forrat, Sur quelques ars6niates des

terres rares k structure zircon, Compt. Rend. 345,

1636-38 (1957).

hkl

Internal Standard,

Silver, a = 4.0861 A

Co, 1.7889 A at 25 °C

a 1

o

lUi 4. 713 15

200 3. 537 100

211 9 898 oO 112 U 1 220 99

OUl 2. 209 8

103 2. 017 8

321 1 87'^ 0

312 1 894.R 47

400 1 7R81 11^A

91 ^ 1. 7522 3 411 1. 6556 <3

420 1. Ool^ 1 A 14

303 1, Oi\jZ A 332 1 A 14

1. 4413 12

501 1. 3802 <3

224 1. oo^O

512 11. 97m ZiKJl 440 1. ZoU4

Ann 1. 1790 6

404 1. 1773 7 532 1. lo^o A0

424 1. 1172 11 631 1. 0400 3

1 1 A 1. 0297 5 415 1. 0171 3

444 0. 9803 7 552 . 9535 9

316 . 9521 10

604 . 9444 4

624 . 9126 9

30
Erbium Arsenate, ErAs04 (tetragonal)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of erbium arsenate

was prepared at NBS from a water solution of

arsenic pentoxide and erbium trichloride. Spectrographic analysis showed the following major

impurities: 0.01 to 0.1 percent each of nickel and

antimony and 0.001 to 0.01 percent each of

aluminum, calcium, magnesium, lead, and silicon.

The sample was very pale pink. The indices

of refraction could not be determined because

the sample was too fine.

The a-values of the three strongest lines are: 3.510, 2.652, and 1.812 A.

Structural data. Durif and Forrat [1] in 1957

determined that erbium arsenate has the zircon

structure with the space group Dlt-l4i/amd

(No. 141) and 4(ErAs04) per unit cell.

Lattice constants

a c

o Ao A

1957 Durif and Forrat [1] 7. 04 6. 30

1963 National Bureau of 7. 0203 6. 2761

Standards at 25 °C. ±. 0002 ± . 0004

The density of erbium arsenate calculated from

the NBS lattice constants is 6.574 g/cm^ at 25 °C.

Reference

[1] A. Durif and F. Forrat, Sur quelques ars^niates des

terres rares a structure zircon, Compt. Rend. 345,

1636-38 (1957).

hkl

Internal Standard,

Tungsten, a = 3.1648 A

Cu, 1.5405 A at 25 °C

Ja

7I

o

101 4. 679 12

200 3. 510 100

211 A4

112 DO

220 O A0

1

Z. 4ol

2. 339 2 301 2. 193 8

103 L. UU5 0

321 1. ooy 7 312 1. ol^ OZ

400 1. 755 14

213 1. 741 4

411 1. 643 2

420 1. 5698 15

332 1. 4638 14

204 1. 4328 9

501 1. 3702 1 224 1. 3z64 o8

512 1. 2610 10

440 1. 2411 3

bUO, 404 1. 1701 7 532 1. 1240 7 620, 424 1 1 nno 1. luyo 1 o\A

116 1. U^o4 Qo 613 i. uluy

A f\ AAA 640, 444 0. 9734 6

712, 316 . 9465 11 604 . 9380 4 624 . 9062 5 732 . 8845 5

800 . 8777 <1

820 . 8516 <1

516 . 8329 4

660 . 8274 5 752 . 7898 10
Europium Arsenate, EuAs04 (tetragonal)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of europium arsenate

was prepared at NBS from a water solution of

arsenic pentoxide and europium trichloride. It

was dried at 110 °C. Spectrographic analysis

showed the following major impurities: 0.01 to

0.1 percent each of antimony and silicon; 0.001

to 0.01 percent each of aluminum, calcium, iron,

magnesium, and titanium.

The sample was colorless. The indices of

refraction could not be determined because the

sample was too fine.

The (Z-values of the three strongest lines are: 3.578, 2.704, and 1.8467 A

Structural data. No reference to the structure

of europium arsenate was found but it is apparently isostructural with yttrium arsenate

with the space group Dlg-l4i/amd (No. 141)

and 4(EuAs04) per unit cell.

Lattice Constants

a c

A

oA

1963 National Bureau of 7. 1541 6. 3953

Standards at 25 °C. ±. 0004 ±. 0004

The density of europium arsenate calculated

from the NBS lattice constants is 5.902 g/cm^

at 25 °C.

hkl

Internal Standard,

Tungsten, a = 3. 1648 A

Co, 1.7889 A at 25 °C

d /

o A

101 4. 77 2 200 3. 578 100

112 2. 704 63

220 2. 530 17 202 2. 386 5

301 2. 236 5 103 2. 0430 3

321 1. 8953 5

312 1. 8467 45

400 1. 7886 12

420 1. 5997 11 332 1. 4914 12

204 1. 4595 8

224 1. 3511 8

512 1. 2847 8

440 1. 2646 3

600, 404 1. 1921 7 532 1. 1455 8

424 1. 1308 10

116 1. 0428 5

444 0. 9919 5 316 . 9643 11 604 . 9557 3

624 . 9233 6

32
Gallium Arsenide, GaAs (cubic)

Powder data cards. None.

Additional published patterns. IS one. NBS sample. The sample of gallium arsenide

was obtained from Semitronics Inc., Winchester,

Mass. Spectrographic analysis showed the following major impurities: 0.1 to 1.0 percent iron,

j 0.01 to 0.1 percent chromium, nickel, and lead;

I and 0.001 to 0.01 percent each of cobalt, copper,

indium, manganese, molybdenum, and silicon.

The sample was a dark gray opaque powder.

The c?-values of the three strongest lines are:

3.262, 1.998, and 1.704 A.

Structural data. Goldschmidt [1] in 1927 determined that gallium arsenide has the zinc sulfide

structure, the space group Td-F43m (No. 216),

and 4 (GaAs) per unit cell.

Lattice constant

o 1963 National Bureau of Standards at A

25 °C 5. 652

Internal Standard,

Tungsten, a = 3. 1648 A

hlrl Cu, 1.5405 A at 25 °C

d / a

o A

11111 1 3. 262 100 5. 648

61 5. 650

oil 1. 704 29 5. 650

^uu 1. 413 7 5. 648

331 1. 297 11 5. 652

4.99 1. 154 17 5. 647

Oi i 1. 088 5 0. o4s

440 0. 9993 3 5. 652

531 . 9557 6 5. 653

620 . 8938 6 5. 652

533 . 8621 4 5. 652

444 . 8159 2 5. 652

711 . 7916 6 5. 652

Average value of last five lines_. 5. 652

Reference

The density of gallium arsenide calculated from [l] V. M. Goldschmidt, Geochemische Verteilungsgesetze

the NBS lattice constant is 5.321 g/cm^ at 25 °C. S'k?8?390 a°926-27^!'^'°'^'

33
Holmium Arsenate, H0ASO4 (tetragonal)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of holmium arsenate

was prepared at NBS from a water solution of

arsenic pentoxide and holmium trichloride. Spectrographic analysis showed the following major

impurities: 0.01 to 0.1 percent antimony and

0.001 to 0.01 percent each of aluminum, calcium,

iron, lead, and silicon.

The color of the sample was very pale pinkish

white. The indices of refraction could not be

determined because the sample was too fine.

The c?-values of the three strongest lines are: 3.528, 2.668, and 1.822 A.

Structural data. The structure of holmium

arsenate was not found in the literature; however,

it is apparently isostructural with erbium arsenate

having the space group D

~

and 4 (H0ASO4) per unit celliH4i/amd (No. 141)

Lattice constants

a c

0 A

a A

1963 National Bureau of Stand- 7. 0548 6. 3159

ards at 25 °C. ±.0003 ±. 0005

The density of holmium arsenate calculated

from NBS lattice constants is 6.420 g/cm^ at 25 °C.

hkl

Internal Standard, „ Tungsten, a = 3.1648 A

Cu 1.5405 A at 25 °C

d /

A

101 r0

3. 528 100

01 1 2. 819 4

2. 668 67

2. 494 20

202 a0

oUi om 2. 203 7 Wo 2. 017 5

1. 868 4

oi-Z 1. 822 50

400 i. /DO ID 4zU 1. 5774 14

1. 4710 15

OA A ^U4 1. 4411 9

KA1 oUl 1. 3769 1

224 i. oooy Ay

1. 3279 4

CIO 512 1. 2670 9

441) 1. 2470 3 404, 600 1. 1763 5

532 0

4z4 1. 1159 10

llD 1. 0301 3 OAC zUb 1. 0086 1 C Af\ 640 0. 9781 4

552 . 9516 7 CA A oU4 . 9428 2 CO yl DZ4 . 9110 3

'TOO

. 8890 4

800 . 8818 <1

820 . 8556 1 516 . 8378 2

644 . 8317 3

660 . 8314 2

34
Indium Arsenide, InAs (cubic)

Powder data cards

Card

number

Index

lines Source

8-387 1. 24

1. 02

2. 10

Liu and Peretti [1] 1953.

Additional published patterns. A. landelli [2] 1941.

NBS sample. The sample of indium arsenide

was obtained from Semitronics, Inc., Winchester

Mass. Spectrographic analysis showed the following impurities: 0.01 to 0.1 percent each of

silver, aluminum, bismuth, chromium, iron, gallium, and titanium; and 0.001 to 0.01 percent each

of barium, calcium, cobalt, magnesium, nickel,

antimony, and tin.

The sample was an opaque metallic powder.

The c?-values of the three strongest lines are: 3.498, 2.142, and 1.8263 A.

Structural data. landelli [2] in 1941 determined that indium arsenide has the zinc sulfide

structure, the space group Td-F43m (No. 216), and

4(InAs) per unit cell. The unit cell measurement

reported by landelli has been converted from kX

to angstrom units for comparison with the NBS

value.

Lattice constants

A

1941 landelli [2] 6. 048

1953 Liu and Peretti [1]- 6. 058

1963 National Bureau of Standards at 25 °C 6. 058

The density of indium arsenide calculated from

NBS lattice constant is 5.668 g/cm^ at 25 °C.

Internal Standard, Tungsten, a = 3. 1648 A

hkl

Cu, 1.5405 A at 25 °C

d

TJ d

o A

o

111 3. 498 100 6. 059

200 3. 030 8 6. 060

220 2. 142 O i D. uoy

311 1. 8263 «JO D. UO / 222 1. 7489 9 o. uoo

400 1. 5145 9 6. 058

331 1. 3895 13 6. 057

420 1. 3544 9 D. UO / 422 1. 2366

511 1. 1658 Q ft nt=iR

440 1. 0707 7 6. 057

531 1. 0241 10 6. 058

600 i. uuy / 1 6. 058

620 0. 9578 6 6. 058

533 . 9239 3 6. 058

444 . 8745 3 6. 059

711 . 8483 6 6. 058

642 . 8096 15 6. 058

731 . 7887 8 6. 058

Average value of last five lines. 6. 058

References

[1] T. S. Liu and E. A. Peretti, The indium-arsenic system.

Trans. Am. Soc. Metals 45, 677-85 (1953).

[2] A. landelli, Sulla struttura dei composti, InP, InAs, e InSb, Gazz. chim. ital. 71, 58-62 (1941).

35
Lanthanum Arsenate, LaAs04 (monoclinic)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of lanthanum

arsenate was prepared at NBS from a water solution of arsenic pentoxide and lanthanum tri- chloride. It was dried at 110 °C. Spectrographic

analysis showed the following major impurities:

0.01 to 0.1 percent each of aluminum, iron, and

silicon, and 0.001 to 0.01 percent each of calcium, magnesimn, lead, and antimony.

The sample was colorless. The indices of re- fraction could not be determined because the

sample was too fine.

The (Z-values of the three strongest lines are: 3.185, 2.983, and 3.391 A.

Structural data. No reference to the structiire

of lanthanum arsenate was found; however, it is apparently isostructural with lanthanum phosphate with the space group Cfh-P2i/n (No. 14)

and 4(LaAs04) per unit cell.

Lattice constants

a b c 0

1963 National Bureau of Standards

at 25 °C.

oA

7. 0078

± . 0007

o A

7. 212

±. 001

o A

6. 7670

± . 0007

104°29. 3' ±. 6'

The density of lanthanimi arsenate calculated from the NBS lattice constants is 5.572 g/cm^ at 25 °C.

fifct

Internal Standard,

Silver, a = 4.0861 A

Cu, 1.5405 A at 25 °C tifct

Internal Standard,

Silver, a = 4.0861 A

Cu, 1.5405 A at 25 °C

d / d /

oA

o _ A

101 5. 45 4 322 1. 832 20

110 4. 95 12 231, 223 1. 808 6

A 1 1 Oil 4. 85 10 040 1. 803 5 111 4. 35 8 132 1. 795 22

101 4. 215 <1 140, 321 1. 743 11

111 3. 635 7 400 1. 696 4

020 3. 606 16 402 1. 689 7

200 3. 391 60 410 1. 651 11 002 3. 278 8 330, 114 1. 647 11 120 3. 185 100 004 1. 638 5

210 3. 068 24 312 1. 632 4

012 2. 983 87 214 1. 604 7 202 2. 722 24 332, 240 1. 593 8

212 2. 546 22 142 1. 581 2 112 2. 527 15 124 1. 531 6

220 2. 471 6 322 1. 519 2 122 2. 430 8 411 1. 516 1 301 2. 326 6 413 1. 504 2 031 2. 257 11 242 1. 502 2 103 2. 252 10 314 1. 487 3

311 2. 213 7 341, 421 1. 425 2 221 2. 185 6 431,423 1. 416 4

122, 310 2. 159 3 340 1. 410 3

013, 131 2. 089 4 124, 043 1. 391 9

212 2. 023 31 134 1. 383 8

301 1. 991 3 332, 511 1. 374 9

231 1. 959 5 204, 412 1. 348 4

103, 132 1. 942 32 414 1. 337 6

320 1. 916 14 510 1. 333 3

023 1. 868 4 052 1. 320 8

36
Lanthanum Niobium Titanium Oxide, LaNbTiOe (monoclinic)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of lanthanum niobium titanium oxide was prepared at NBS by

K. S. Roth from stoichiometric mixtures of the

oxides of lanthanum, niobium, and titanium.

The sample was first heated at 1300 °C for 3 hr

j and then heated at 1350 °C for 3 hr. Spectroj graphic analysis of the original oxides showed no

impurities greater than 0.05 percent.

The sample was colorless. The refractive

indices could not be determined because the

sample was too fine.

The (i-values of the three strongest lines are: 3.444, 3.331, and 3.306 A.

Structural data. P. M. de Wolff [1] in 1962

determined that lanthanum niobium titanium

oxide has a C-centered monoclinic lattice.

Lattice constants

a b c

1962

1963

de Wolff [1] National Bureau of Standards at 25 °C.

o A

11. 20

11. 196

o A

8. 85

8. 851

o A

5. 27

5. 265

115°18'

115°16'

hkl

Internal Standard, „ Tungsten, a = 3. 1648 A

Cu, 1.5405 A at 25 °C

d /

o A

110 6. 68 22

200 5. 063 10

111 4. 523 10

111 3. 444 100

220 3. 331 100

311 3. 306 94

021 3. 241 36

221 3. 183 16

310 3. 153 10

130 2. 833 11

202 2. 632 31

131 2. 573 30

400 2. 531 20

312 2. 421 6

421 2. 355 8

331 2. 273 14

311 2. 249 4

330 2. 223 10

511 2. 170 6

022 2. 096 9

112 2. 065 12

422 2. 033 16

041 2. 006 10

241 1. 993 8

132 1. 941 8

hkl

Internal Standard, „ Tungsten, a = 3. 1648 A

Cu 1.5405 A at 25 °C

d /

332 1. 916 4

202 1. 868 10

331 1. 825 10

531 1. 783 31

241 1. 761 16

150 1. 744 10

441 1. 731 9

222 1. 721 10

621 1. 715 8

151 1. 678 6

530 1. 669 9

113 1. 651 6

042,223 1. 620 10

511 1. 603 11 620 1. 579 4

711 1. 563 5

333 1. 507 9

152 1. 459 4

531 1. 427 4

Reference

[1] P. M. de Wolff, private communication.

37
Lithium Phosphate, low form (lithiophospiiate), Li3P04 (orthorhombic)

Powder data cards

Card

number

Index

lines Source

12-230 3. 98

3. 80

2. 67

Fisher [1] 1958.

A high form is obtained from samples that have

been heated above approximately 500 °C.

Additional published pattern. Matias and Bondareva [2] 1957.

NBS sample. The sample of lithium phosphate

was obtained from the City Chemical Co., New

York, N.Y. Spectrographic analysis showed the

following major impurities: 0.1 to 1.0 percent calcium; 0.01 to 0.1 percent each of aluminum, so- dium, and strontium; and 0.001 to 0.01 percent

each of barium, iron, magnesium, and silicon.

The sample was colorless. The indices of re- fraction could not be determined because the

sample was too fine.

The c?- values of the three strongest lines are: 3.973, 3.797, and 2.640 A.

Structural data. Zemann [3] in 1960 studied a

crystal of Li3P04 that had been grown in molten

LiCl and determined that it has the space group

D^«-Pmnb (No. 62) and 4(Li3P04) per unit cell. We find that the lower form apparently has the

same structure with only slight changes in the

lattice constants, principally in the c-direction.

The cell constants of Zambonini and Laves have

been converted from kX to angstrom units for

comparison with the NBS values.

Lattice constants

a b c

o A

aA

oA

1932 Zambonini and 6. 08 10. 28 4. 87

Laves [4]. 1963 National Bureau 6. 1155 10. 467 4. 8452

of Standards ± . 0004 ±. 001 ± . 0005

at 25 °C.

References

[1] D. J. Fisher, Note on lithiophosphate, Am. Mineralogist

43, 761-2 (1958).

[2] V. V. Matias and A. M. Bondareva, Lithiophosphate,

a new mineral, Doklady Akad. Nauk S.S.S.R. 112, 124-6 (1957) ; an English abstract exists in Am. Mineralogist i2, 585 (1957).

[3] J. Zemann, Die Kristallstrukturvon Lithiumphosphat,

LiaPOi, Acta Cryst. 13, 863-7 (1960).

[4] F. Zambonini and F. Laves, tJber die Kristallstruktur

des Li3P04 und seine Beziehung Zum Strukturtyp

des OHvin, Z. Krist. 83, 26-28 (1932).

The density of lithium phosphate, low form,

j calculated from the NBS lattice constants is 2.480 I, g/cm^ at 25 °C. i,

I

t

hkl

Internal Standard

Silver, a = 4.0861 A

Cu, 1.5405 A at 25 °C

a

T

I

A

020 5. 232 34

120 3. 973 100

101 o. lyl

021 3. 554 56

121 3. 071

200 3. 059 \ 26

220 2. 640 64

040 I. bl6 o a 00

002 2. 423 47

221 2. 318

041 2. 303 \

022 2. 199 <1

141 O ICC

2. 155 4

122 2. 070 3

320, 202 1. 899 1 301 1. 879 2

241 1. 839 4

222 1. 785 14

321 1. 769 9

142 1. 7074 1 160 1. 6777 2

061 L 6415 1 340 1. 6083 6

161 1. 5855 2 103 1. 5616 4

023, 312 1. 5431 3

400 L 5287 11 260 1. 5152 16

123 1. 4959 1 420 1. 4675 1 421 1. 4043 2

223 L 3776 14

143 1. 3409 2

440 1. 3203 2 080 L 3078 <1

402 L 2931 4

L 2848 8

053, 361 1. 2788 4

303 L 2656 2 422 L 2550 1 243 1. 2533 1

280 1. 2027 <1

520 L 1909 2 501 1. 1860 2 281 L 1676 3 442 L 1591 2

460 1. 1498 <1

343 1. 1394 <1

380 1. 1014 2

38
Lithium Phosphate, high form, Li3P04 (orthorhombic)

Powder data cards. None. Powder data card

No. 12-230 has a pattern by Fisher [1] which seems

to be for the low form. The sample is changed

to the high form when it has been heated above

approximately 500 °C.

Additional published patterns. Tien and Hummel [2], 1961.

NBS sample. The sample of lithium phosphate

was obtained from the City Chemical Co, New

York, N.Y. It was heated at 800 °C for 15 min.

Spectrographic analysis showed the following

major impurities- 0.1 to 1.0 percent calcium; 0.01

to 0.1 percent each of aluminum, sodium, and

strontium; and 0.001 to 0.01 percent each of

barium, iron, magnesium, and silicon.

The sample was colorless and optically positive,

with the indices of refraction N„= 1.550, N;3=

1.556, and N^=1.560.

The c?-values of the^three strongest lines are: 3.978, 3.834 and 2.640 A.

hkl

InternarStandard, „ Tungsten, a = 3.1648 A

Cu 1.5405 A at 25 °C hkl

Internal Standard, „ Tungsten, a = 3. 1648 A

Cu 1.5405 A at 25 °C

d I d /

o

A A

o

A A

020 5. ^4 29 171 1 Oft A O

1. 3943 <1

Oil 4. 46 7 162 1. 3873 <1

120 3. 978 100 143 1. 3562 <1

101 O OO A 3. 834 93 431 1. o4d7 <1

021, 111 o er o D

6. 588 £i O bd 233 1 O 0£J 1 1. 66bl 2

121 3. 093 18 440 1. 3198 1 200 3. 058 17 080 1. 3095 <1

220 2. 640 67 402 1. 2984 5

040 2. 619 37 262 1 OA 1 A

1. 2910 o0

131 2. 583 27 180, 361 1. 2806 5

311 2. 521 14 313 1. 2682 4

002 2. 462 47 081 1. 2651 2

140 2. 406 3 323 1. 2414 <1

221 2. 327 3 181 1. 2390 <1

041 2. 313 4 333 1. 2002 4

141 2. 163 2 520, 253 1. 1905 o3

122 2. 095 6 501 1. 1875 2 231 o 163 X. J. 1 O J- 2

051 1. 927 3 281 1. 1688 3

212 1. 885 <1 034 1. 1608 1

311 1. 853 5 460 1. 1499 <1

241 1. 844 4 182, 214 1. 1354 <1

151 1. 838 4 531 1. 1231 <1

222 1. 800 14 380 1. 1015 2 042 1. 793 5 234 1. 0850 1

321 1. 772 6 522 1. 0719 <1

060 1. 745 <1 314 1. 0481 1 160 1. 679 3 154 1. 0456 <1

331 1. 657 4 363 1. 0314 <1

061 1. 646 2 064, 382 1. 0056 1

251 1. 6305 1 2-10 0 0. 9910 <1

340 1. 6080 3 391 . 9902 <1

103 1. 5848 4 453 . 9867 <1

023 1. 5659 5 472, 503, 621 . 9805 <1

341, 400 1. 5285 9 481 . 9749 <1

260 1. 5158 17 283, 552 . 9705 <1

420 1. 4673 1 533 . 9442 <1

133 1. 4429 7 602, 354 . 9414 <1

213, 332, 071 1. 4322 5

421 1. 4067 <1

39
Lithium Phosphate, high form, Li3P04 (orthorhombic) —Continued

Structural data. Zemann [3] in 1960 studied a

crystal of Li3P04 that had been grown in molten

LiCl and determined that it has the space group

D^^Pmnb (No. 62) and 4(Li3P04) per unit cell. The cell constants of Zambonini and Laves have

been converted from kX to angstrom units for

comparison with the NBS values.

The density of lithium phosphate, high form

calculated from the NBS lattice constants is 2.43

g/cm^ at 25 °C.

Lattice constants

a b c

o Ao A

o A

1932 Zambonini and 6. 08 10. 28 4. 87

Laves [4]. 1960 Zemann [3] 6. 12 10. 53 4. 93

1963 National Bureau 6. 1147 10. 475 4. 9228

of Standards ±. 0005 ±. 001 ±. 0005

at 25° C.

References

[1] D. J. Fisher, Note on lithiophosphate. Am. Mineralo

gist 43, 761-2 (1958).

[2] T. Y. Tien and F. A. Hummel, Studies in lithium oxide

systems: X, lithium phosphate compounds, J. Am.

Ceram. Soc. U, 206-8 (1961).

[3] J. Zemann, Die Kristallstruktur von Lithiumphosphat,

Li3P04, Acta Cryst. 13, 863-7 (1960).

[4] F. Zambonini and F. Laves, Uber die Kristallstruktur

des Li3P04 und seine Beziehung Zum Strukturtyp

des Ohvin, Z. Krist. 83, 26-28 (1932).

40
Magnesium Ammonium Phosphate Hexahydrate (struvite), MgNH4P04 • 6H2O

(orthorhombic)

Powder data cards

Card

number

Index

lines Source

5-0316 4. 28

2. 93

2. 69

Hanawalt, Rinn and Frevel [1] 1938.

Additional published patterns. None.

NBS sample. The sample of struvite was precipitated at NBS from a solution of magnesium

sulfate by adding a solution of ammonium monohydrogen orthophosphate. Spectrographic analysis showed the following major impm-ities: 0.01

to 0.1 percent sodium, and 0.001 to 0.01 percent

each of calcium, iron, and silicon.

The sample was colorless and optically positive.

The indices of refraction are Na=1..493, N^=

1.496, and N^ = l. 501.

The c?-values of the three strongest lines are: 4.257, 5.601, and 2.919 A.

Structural data. Bland and Basinski [2] in

1959 determined that struvite has the space group

C2;-Pm2in (No. 31) and 2(MgNH4P04-6H20) per

unit cell.

Lattice constants

a b c

1944 Palache, Bernaan

o Ao Ao A

and Frondel [3]- 6. 10 11. 20 6. 97

1959 Bland and Basinski [2] 6. 13 11. 19 6. 92

1963 National Bureau

of Standards at 25 °C 6. 945 11. 208 6. 1355

±. 001 ±. 002 ±. 0008

The density calctdated from the NBS lattice

constants is 1.706 g/cm^ at 25 °C.

References

[1] J. D. Hanawalt, H. W. Rinn, and L. K. Frevel, Chemical analysis by x-ray diffraction, Ind. Eng. Chem.,

Anal. Ed. 10, 457-512 (1938).

[2] J. A. Bland and S. J. Basinski, Crystal symmetry of

struvite (guanite), Nature 183, 1385-7 (1959).

[3] C. Palache, H. Berman, and C. Frondel, Dana's

System of Mineralogy, 7th Ed. 2, 715 (1944).

hkl

Internal Standard,

Tungsten, a = 3. 1648 A

Cu, 1.5405 A at 25 °C

7

I

oA 001 7 110 41t:X 020 5 fiOl m 1 5. 378 27

101 4. 600 6

111 1 00

021 4 1 "^Q 40

121 Ot kJk} t rt 3. 475 11 130 3. 289 27

031 1 Q9 9

002 O. OfiV UU

1

QO 201 099 1 4

2. 958 23

211 2. 919 54

040 9 809 S4

112 9 799

022 9 RQO

2. 660 43

041 2. 548 3

122 7 141 O 231 9 ^^9 1 9

909 2. 300 1 212 2. 253 4

240 9 1 SO J.

t: 301 oO 150 ^. LOO o 999 oil1 2. 127 7 042 2. 069 6

241

003 11

151 9^. niA ux^ 1 0

1. 983 5

103, 232 1. 960 14

113 9

023 1. 921 3 331 1. 873 5

1 9Q 1. 851 3 312 1. 822 3

052 1. 810 8

251 1. 801 14

033 1. 794 10

203 1. 762 9

133, 400 1. 737 14

341 1. 714 5 223 1. 681 4

332 1. 657 4

41
Potassium Chlorate, KCIO3 (monoclinic)

Powder Data cards

Card

number

Index

lines Source

1-0599 3. 45

2. 79

2. 86

Hanawalt, Rinn and Frevel

[1] 1938.

12-571 3. 46

2. 88

2. 80

Institute of Physics, University College, Cardiff.

Additional published patterns. None.

NBS sample. The sample of potassium chlorate

was obtained from the General Chemical Co.,

New York, N.Y., and recrystallized to sharpen

the pattern. Spectrographic analysis showed the

following impurities: 0.001 to 0.01 percent each

of aluminum, barium, iron, rubidium, sUicon,

sodium, and strontium.

The color of the sample was white. It is optically negative with the indices of refraction

N„ = 1.408, N0= 1.516, and N^= 1.524; 2V was

very small.

The c?-values of the three strongest lines are: 3.45, 3.34, and 2.868 A.

Structural data. Zachariasen [2] and [3] in 1928

determined that potassium chlorate has the space

group CLP2i/m (No. 11) and 2[KC103l per

unit cell. The unit cell measiirements of levin § and Ozols and Zachariasen have been converted

from kX to angstrom units for comparison with

the NBS values.

The density of potassium chlorate calculated

from the NBS lattice constants is 2.339 g/cm^

at 26 °C.

References

[1] J. D. Hanawalt, H. W. Rinn, and L. K. Frevel,

Chemical analysis by X-ray diffraction, Ind, Eng.

Chem. Anal. Ed. 10, 457-513 (1938).

[2] W. H. Zachariasen, The crystal structure of sesquioxides and compounds of the type ABO3, Skrifter

Norske Videnskaps-Akad. Oslo I: Mat.-Naturv. Kl.

Nr. 4, 82 (1928).

[3] W. H. Zachariasen, The crystal structure of potassium

chlorate, Z. Krist. 71, 501 (1929).

[4] A. levinl and J. Ozols, Precision determination of

lattice constants of monoclinic crystals, Doklady

Akad. Nauk SSSR 91, 527-30 (1953).

hkl

Internal Standard, ^ Tungsten, a = 3.1648 A

Cu, 1.5405 A at 26 °C

d /

A

001 6. 69 3 101 4. 41 10

Oil 4. 29 5 110 3. 45 100

002 3. 34 60

T02 3. 234 3 101 3. 204 4

012 2. 868 35

020 2. 794 33

111 2. 779 23

021 2. 579 4

120 2. 356 3 201 2. 327 18

102 2. 309 2 511, 113 2. 149 6

022 2. 145 7 112 2. 135 7 T22 2. 115 17

013 2. 070 2 203 1. 919 5

201 1. 902 5 213 1. 815 2 211 1. 800 1 221, T23 1. 7888 2 122 1. 7800 1

Tn4- 1. 7730 <1

J. \JO 1. 7615 <1

1. 7421 1 130 1. 7149 2 113 1. 6800 1

032 1. 6279 5

i. 0^ 1. 6145 2

i. 0 J. 1. 6111 2 014 1. 6014 3

223 1. 5820 <1

921 1. 5722 <1

91

4

1. 5539 <1

302 1. 5428 <1

124 1. 4973 4

123 1. 4897 4

311 1. 4848 4

1. 4700 <1

\JOO 1X 313 1. 4213 2 310 1. 4137 <1

040 1. 3978 2 203 1. 3517 <1

005, 233 1. 3371 1 215 1. 3254 <1

213 1. 3136 <1

3 23 1. 3009 2

042 1. 2899 <1

42
Potossium Chlorate, KCIO3 (monoclinic) —Continued

Lattice constants

a b c |3

o A

0 A0 A

J. v^v 4. 656 fj. OV\J 7 090 1 oq°^S'

1953 levins and Ozols [4] 4! 6569 5. 59089 7. 0991 109°38.9'

1963 National Bureau of Standards at 26 °C 4. 6553 5. 5905 7. 1006 109°41.1'

±. 0002 ±. 0006 ±. 0005 ±. 3'

Potassium Lithium Sulfate, KLiS04 (hexagonal)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of potassium lithium

sulfate was prepared at NBS by dissolving stoichiometric amounts of solid potassium hydroxide and

lithium hydroxide in a small amount of water.

When the mixture was at room temperature a drop of 1 percent bromcresol-purple was added

and the mixture neutralized with H2SO4. The

solution was evaporated to dryness and the precipitate was then heated to about 750 °C to

sharpen the pattern. Spectrographic analysis

showed the following impurities: 0.01 to 0.1 percent each of calcium, indium, and sodium; and

0.001 to 0.01 percent each of aluminum, rubidium,

and silicon.

The sample is colorless and optically negative.

The indices of refraction are No = 1.471 and Ne = 1.469.

The (i-values of the three strongest lines are: 3.960, 3.099, and 2.573 A.

Structural data. Nowacki [1] in 1942 determined that potassium lithium sulfate has the

space group Q-P6/3 (No. 173) and 2(KLiS04)

per unit cell. The lattice constants of Nowacki

have been converted from kX to angstrom units

for comparison with the NBS values.

Lattice constants

a c

0A0 A

1942 Nowacki [1] 5. 14 8. 62

1963 National Bureau of

Standards at 26°C_- 5. 1457 8. 6298

The density of potassium lithium sulfate calculated from NBS lattice constants is 2.385

g/cm^ at at 26 °C.

hkl

Internal Standard, „ Tungsten, a = 3. 1648 A

Cu, 1.5405 A at 26 °C

d /

0 A

002 4. 320 12

101 3 960 100

102 3. 099 70

110 2. 573 34

111 2. 465 16

103 2. 418 5 200 2. 225 8

112 2. 211 20

201, 004 2. 158 19

202 1. 981 12

113 1. 919 4 203 1. 762 2 210 1. 683 3

114, 211 L 653 11 105 1. 6096 5

212 1. 5690 11 204 1. 5499 4

300 1. 4852 11 213 1. 4533 2 106 1. 3687 2

205 1. 3647 3

214 1. 3276 3

220 1. 2864 5 116 1. 2550 5 222 1. 2329 2

311, 304 1. 2237 6

206 1. 2081 2

215 1. 2055 3

107, 312 1. 1880 3

313 1. 1356 1

401, 224 1. 1048 2 216 1. 0939 1 402 1. 0787 2 108 1. 0484 1 403 1. 0389 1 306 1. 0335 1

Reference

[1] W. Nowacki, Beziehungen zwischen K[AlSi04] (TiefKaliophilit), Ba[Al20,], K[LiS04], Na[AlSi04] (Nephelin) und Sij04 (/3-Tridymit), Naturwissenschaften

30, 471-472 (1942).
Potassium Perchromate, KsCrOg (tetragonal)

Powder data cards. None.

Additional published patterns. Wilson [1] 1941.

NBS sample. The sample of potassium perchromate was obtained from City Chemical Corp.,

New York, N.Y. Spectrographic analysis did not

show any impurities greater than the range 0.0001

to 0.001 percent.

The color of the sample was deep red. The

indices of refraction are No= 1.774 and Ne= 1.730.

It is optically negative.

The rf-values of the three strongest lines are: 2.979, 2.372, and 1.856 A.

Structural data. Wilson [1] in 1941 determined

that potassium perchromate has the space group

D^H42m (No. 121) and 2(K3Cr08) per unit cell. Potassium perchromate is used as a structure type.

The unit cell measurements reported by Wilson

have been converted from kX to angstrom units

for comparison with NBS values.

Lattice constants

1941

1963

Wilson [1] National Bureau of Standards at 25 °C.

a c

o A

6. 71

6. 711

o A

7. 62

7. 641

The density of potassium perchromate calculated from NBS lattice constants is 2.869 g/cm^

at 25 °C.

Reference

[1] I. A. Wilson, X-ray analysis of potassium perchromate, KaCrOg and isomorphous compounds, Arkiv.

Kemi Minerali. Geol. B15, 1-7 (1941).

hkl

Internal Standard,

Tungsten, a = 3.1648 A

Cu, 1:5405 A at 25 °C

U

7

1

o A

101 5. 054 42

110 4. 749 18

002 s! 822 1 200 3. 357 36

112 2. 979 100

211 2. 795 17

202 2. 524 5 220 2. 372 53

301 2. 147 5 310 2. 121 2

222 2. 016 7 004 1. 911 g

312 1 85fi 47

321 1. 808 7

303, 400 I. 677 5

204 1. 659 7 330

402 1 *i^fi5 420 1. 5004 10

224 1 4880 12

332 10

314 1. 4198 <1

413 1. 3718 2 501 1. 3219 <1

404 1. 2607 6

512 1. 2445 10

116, 521 1. 2299 5 440 1. 1863 4

325 1. 1808 4

600 1. 1183 2 532 1. 1020 3

316 1. 0920 2

44
Potassium Zinc Decavanadate 16 Hydrate, K2Zn2V10O28 * I6H2O (triclinic)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of potassium zinc

decavanadate 16 hydrate, was obtained from H. T.

Evans, Jr., U.S. Geological Survey, Washington,

D.C. It was prepared from a solution of potassium metavanadate and zinc acetate in water with

the adjusted between 3 and 4 with acetic acid.

Spectrographic analysis showed the following

major impurities: 0.1 to 1.0 percent sodium; 0.01

to 0.1 percent silicon, and 0.001 to 0.01 percent

each of aluminum, barium, calcium, chromium,

iron, magnesium, molybdenum, lead, and rubidium.

The color of the sample was bright orange. The

indices of refraction could not be determined

because of imperfections in the crystals.

The (^-values of the three strongest lines are:

8.18, 7.40, and 9.45 A.

Structural data. Evans, Mrose, and Marvin [1],

in 1955 determined that potassium zinc decavanadate 16 hydrate, has the space group CJ-Pl (No.

2) and l(K2Zn2Vio028- I6H2O) per unit cell.

The density of potassium zinc decavanadate

calculated from the NBS lattice constants is 2.708 g/cm^ at 25 °C.

Reference

[1] H. T. Evans, Jr., M. E. Mrose, and R. Marvin, Constitution of the natural and artificial decavanadates,

Am. Mineralogist 40, 314 (1955).

hkl

Internal Standard, „ Tungsten a = 3. 1648 A

Cu, 1.5405 A at 25 °C

d 7

0 A

010 10. 01 23

100 9. 45 28

110 8. 61 20

001 8. 18 100

111 7. 40 35

TOl 7. 17 3

Oil 6. 81 7 Oil 5. 95 5 101 5. 52 6

211 5. 17 9

020 5. 00 14

200 4. 72 9

201 4. 63 4

111 4. 60 4

221 4. 53 <1

220 4. 33 <1

102 4. 166 3

002 4. 094 16

121 3. 960 3

211 3. 759 4

201, 222 3. 697 7 131 3. 630 2 202 3. 580 3

231 3. 548 4

321 3. 487 8

102 3. 448 6

022 3. 402 3

230 3. 373 1 030 3. 333 4

112 3. 279 2

301 3. 229 3

232, 300 3. 149 5 212 3. Oil 6

022 2. 977 3

031 2. 951 5

332, 330 2. 883 3

032, 123 2. 778 11 003 2. 730 14

203 2. 680 1 242, 341 2. 595 <1

3T3 2. 569 2

222, 113 2. 557 2 420 2. 525 2

133, 432 2. 485 4

103, 331 2. 458 2

303 2. 389 9

042 2. 278 8

151 2. 164 6

313 2. 139 8

532 2. 102 1 204 2. 085 2 234 2. 071 1 213, 232, 152 2. 065 <1

334 2. 046 1 142, 133 2. 006 4

530 1. 987 4

043, 033 1. 985 4

411 1. 964 1 133 1. 930 <1
Potassium Zinc DecaTanad^te 16 Hydrate, KzZnaVioOzs • I6H2O (triclinic) —Continued

Lattice constants

a h c a 7

1955

1963

Evans, Mrose and Marvin [1]. National Bureau of Standards at 25 °C.

0A

10. 76

10. 778

±. 003

A

11. 17

11. 146

±. 003

A

& 77

8. 774

±. 003

104°50'

104°57'

±1'

109° 29'

109°32'

±1'

65°05'

65°0'

±2'

Rubidium Chromate, Rb2Cr04

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of rubidium chromate was obtained from the Fairmount Chemical

Co., Inc., Newark, N.J. Spectrographic analysis

showed the following major impurities: 0.1 to 1.0

percent potassium; 0.01 to 0.1 percent sodium;

and 0.001 to 0.01 percent each of aluminum,

barium, calcium, and silicon.

The color of the sample was yellow and it is optically positive. The refractive indices are N„= 1.715, N^= 1.725, and N.,= 1.759.

The dl-values of the three strongest lines are: 3.207, 3.191, and 3.083 A.

Structural data. Smith and Colby [1] in 1940

determined that rubidium chromate has the potassium sulfate structure and the space group

Dl^-Pnam (No. 62) with 4(Rb2Cr04) per unit cell. The lattice constants reported by Smith and

Colby have been converted from kX to angstrom

units for comparison with NBS values.

Lattice constants

(orthorhombic)

a h c

o A

o Ao A

1940 Smith and 7. 999 10. 726 6. 301

Colby [1]. 1963 National Bureau 8. 001 10. 722 6. 074

of Standards ±. 001 ±. 001 ±. 001

at 25° C.

The density of rubidium chromate calculated

from NBS lattice constants is 3.657 g/cm^ at

25° C.

Reference

[1] H. W. Smith, Jr. and M. Y. Colby, The crystal struc- ture of rubidium chromate, Rb2Cr04, Z. Krist.

103, 90-95 (1940).

hkl

Internal Standard, „ Tungsten a = 3.1648 A

Cu, 1.5405 A at 25 °C

d /

. A

020 5. 365 1 120 4. 451 2 200 4. 004 6

210 3. 749 14

121 o. Oyo OD

201 3. 342 16

130 3. 263 18

220 3. 207 100

211 3. 191 100

031 o. Uoo yo

002 3. 037 57

131 2. 872 4

221 2. 838 13

040 2. 680 12

230 1 R

022 2. 644 3

310 2. 588 30

140 2. 541 6

122 2. 509 11 231 9 AA9 o 320 2. 388 4

311 2. 380 14

212 2. 359 22

141 2. 344 14

240 2. 226 25

222 2. 205 30

330 2. 138 11 241 2. 091 7

150 2. 071 12

051 2. 021 4

042 2. 0098 11 232 2. 0035 20

400 2. 0010 18

312 1. 9697 12

401 1. 8997 10

340 1. 8908 5 420 1. 8737 7 411 1. 8703 9

123 1. 8426 6

341, 251 1. 8047

060 1. 7859 6

213 1. 7813 13

033 1. 7621 15

430 1. 7461 10

46
Silver Antimony Telluride, AgSbTe2 (cubic)

Geller and WerPowder data cards. None.

Additional published patterns.

nick [1] 1959.

NBS sample. The sample of silver antimony

telluride was obtained from Semitronics Inc., Winchester, Mass. Spectrographic analysis showed

the following major impurities: 0.01 to 0.1 percent

each of aluminum, bismuth, copper, iron, indium,

and tin; and 0.001 to 0.01 percent each of gold,

calcium, chromium, magnesium, nickel, and ti- tanium.

The sample was an opaque metallic gray

powder.

The c?-values of the three strongest lines are: 3.042, 2.151, and 1.7554 A.

Structural data. Geller and Wernick [1] in

1959 determined that silver antimony telluride has

the sodium chloride structure, the space group

Oi-FmSm (No. 225), and 2(AgSbTe2) per unit

cell.

Lattice constants

oA

1959 Geller and Wernick [1] at 25 "C. 6. 078

1963 National Bureau of Standards at 25 °C 6. 080

Internal Standard,

Tungsten, a = 3. 1648 A

Cu, 1.5405 A at 25 °C

d 7 a

A A

111 3. 511 1 6. 081

200 3. 040 1 nn D. UoU

2. 151 65 6. 084

Q1 1 <1 6. 080

1. 7554 19 6. 081

400 1. 5203 9 6. 081

331 1. 3946 <i D. u/y

A on 1. 3597 18 6. 081

A OO i. Z4il 9 6. 079

01

1

1. 1703 <1 6. 081

440 1. 0748 4 6. 080

531 1. 0276 <1 6. 079

DUU 1. 0133 4 6. 080

Aon 0. 9614 3 6. 080

AOO . 9166 2 6. 080

444- . 8775 1 6. 079

711 . 8513 <1 6. 079

640 . 8433 2 6. 081

642 . 8125 2 6. 080

Average value of last five lines 6. 080

The density of silver antimony telluride calculated from the NBS lattice constant is 7.163

g/cm^ at 25 °C.

Reference

[1] S. Geller and J. H. Wernick, Ternary semiconducting

compounds with sodium chloride-like structure: AgSbSez, AgSbTes, AgBiS2, AgBiSez, Acta Cryst.

13, 46-54 (1959).

Sodium Magnesium Aluminum Boron Hydroxy Silicate, dravite (var. of tourmaline),

NaMg3Al6B3Si6027(OH)4 (trigonal)

Powder Data cards. None.

Additional published patterns. None.

NBS sample. The sample of dravite is U.S. National Museum No. 103791 from Dobruva,

I Carinthia, Austria. This mineral sample was

j picked by C. R. Robbins, NBS, as a true end

I member representative of the magnesium rich

variety of tourmaline. The chemical analysis

by H. B. Wiik, Hilsingfors, Westend, Finland,

showed the following: 36.99 percent Si02; 0.39

percent Ti02; 32.00 percent AI2O3; 0.01 percent

MnO; 11.58 percent MgO; 0.50 percent CaO;

0.01 percent Li20; 3.11 percent NagO; 0.08 percent K2O; 3.08 percent H2O+; 10.77 percent B2O3;

0.25 percent F; and 0.90 percent total Fe as FeO.

I The color of the sample was light brown and

' it is optically negative. The indices of refraction are No= 1.634 and Ne= 1.613.

The (i-values of the three strongest lines are: 2.576, 3.985, and 2.961 A.

Structural data. Buerger and Parrish [1] in

1937 determined the structure of the tourmalines;

they have the space group C|^,-R3m (No. 160)

and 3[NaMg3Al6B3Si6027(OH)4] per unit hexagonal cell.

Lattice constants

a c

1948 Hamburger and Buerger

0 A0 A

[2] 15. 951 7. 24

1949 Belova and Belova [3] 16. 00 7. 24

1951 Kurylenko [4] . 15. 676 7. 03

1963 National Bureau of Standards at 25 °C--- 15. 931 7. 197

The density of dravite calculated from NBS

lattice constants is 3.019 g/cm^ at 25 °C.

47
Sodium Magnesium Aluminum Boron Hydroxy Silicate, dravite (var. of tourmaline),

NaMg3Al6B3Si6027(OH)4 (trigonal)—Continued

7 7 7 hkl

{tiex)

Internal Standard

Tungsten, a = 3. 1648 A

Cu, 1.5405 A at 25 °C

d /

o

101 6. 377 28

AO 1 4. 981 25

dOO 4. 595 17

211 4. 221 66

220 3. 985 84

Ulz 3. 480 62

TOT 131 3. 375 16

401 3. Ill 5 410 3. 008 12

122 2. 961 83

321 2. 897 9

330 2. 656 <1

312 2. 622 7 051 2. 576 100

042 2. 490 1

241 2. 451 1 003 2. 396 20

232 2. 376 19

511 2. 342 21

600 2. 300 5

502 2. 189 17

431 2. 163 14

303 2. 127 16

422 2. 112 10

223 2. 054 21

152 2. 040 46

161 2. 019 7 440 ]. 991 5 342 1. 920 34

701 1. 901 6

413 1. 877 7 621 1. 849 8

710 1. 828 2

612 1. 817 2

104 1. 784 9

References

[1] M. J. Buerger and W. Parrish, The unit cell and space

group of tourmaline (an example of the inspective

equiinclination treatment of trigonal crystals),

Am. Mineralogist 23, 1139-1150 (1937).

[2] G. E. Hamburger and M. J. Buerger, The structure of tourmaline. Am. Mineralogist 33, 532-540 (1948).

I. 7« 7

\Jiex)

Internal Standard „ Tungsten, o = 3. 1648 A

Cu, 1.5405 A at 25 °C

d /

o

AA. o o o 666 1. 781 7 AO A

1. 742 5

c oo 062, 1. 729 4

C /I 1 541 1. 715 2 262 1. 690 1

bOo 1. 660 24

0'71 /71 1. 641 16

CCA ooO 1. 592 21

/ICO 4oz 1. 586 <1

811 1. 575 <1

324 1. 565 <1

461 1. 5456 5 900 1. 5326 7 722 1. 5262 7 820 1. 5056 16

244 1. 4807 3

514 1. 4555 19

642 1. 4485 11

A1 C 015 1. 4318 8

651 1. 4178 8

205 1. 4091 19

125 1. 3871 2 381 1. 3746 3

lO-O-l 1. 3551 9

912 1. 3416 5 AO 1 921 1. 3359 4

045 1. 3282 13

660, 553 1. 3272 12

lO-l-O 1. 3095 12 571 1. 3002 1

903 1. 2922 2 505 1. 2765 14

1. 2602 3

155 1. 2449 3

0-lM 1. 2358 3

482 1. 2260 1 850 1. 2149 3

[3] N. V. Belova and E. N. Belova (The crystal structure of

tourmaline), Dokl. Alcad. Nauk SSSR 69, No. 2, 185-188 (1949).

[4] C. Kurylenko, Transformation de la dravite de Doubrova (Moravie) de 375° k 1350°, Compt. rend.

Paris 233, 2109-2111 (1951).

48
Sodium Trimetaphosphate, NasPsOg (orthorhombic)

! Powder data cards.

Card

number

Ill(i6X linesVJ}\J Ul L/C

11-648 3. 40

3. 86

3. 04

deWolff, Techn. Phys.

Dienst, Delft, Holland.

Additional published patterns. Corbridge and

Tromans [1]. NBS sample. The sample of sodium trimetaphosphate was crystallized by heating sodium

trimetaphosphate above the melting point (about

650 °C) and then cooling slowly at the rate of

5 to 10 °C an hour. Spectrographic analysis

showed the following major impurities: 0.001 to

10.01 percent each of aluminum, barium, calcium,

iiron, potassium, magnesium, silicon, and titanium.

The sample is colorless.

Internal Standard, „ Tungsten, a = 3.1648 A

hkl Cu, 1.5405 A at 25 °C

d /

oA

110 6. 79 43

Oil 6. 65 53

111 5. 095 43

021 5. 015 48

121 4. 237 5

200 3. 960 16

002, 130 3. 850 63

131 3. 444 48

211 3. 407 100

112 3. 351 31

022 3. 330 37

221 3. 110 11 041 3. 037 55

141 2. 837 11 202 2. 762 41

132 2. 723 22

212 2. 706 10

310 2. 591 11 240 2. 540 35

013 2. 522 14

150, 051 2. 503 7 311 2. 457 8

241 2. 412 11 113 2. 406 8

151 2. 387 <1

232, 321 2. 340 <1

123 2. 292 2 330 2. 267 6

060 2. 204 8

331 2. 175 11

The c?-values of the^ three strongest lines are: 3.407, 3.850, and 3.037 A.

Structural data. Ondik and Gryder [2] in 1960

determined that sodium trimetaphosphate has the

space group CL-P2icn (No. 33) or DJ^-Pmcn

(No. 62) with 4(Na3P309) per unit cell.

hkl

Internal Standard, „ Tungsten a = 3.1648 A

Cu, 1.5405 A at 25 °C

d /

a A

133 2. 136 8

213 2. 128 10

242 2. 121 8

152 2. 103 2 223 2. 050 10

043 2. 029 17

341 1. 994 6

400 1. 982 9

143 1. 965 5

332 1. 954 6

004, 260 1. 927 5 252 1. 911 8

411, 420 1. 900 1 350 1. 871 13

024 1. 849 10

170 1. 838 4

243 1. 806 4

153 1. 794 2 171 1. 781 1 402 1. 762 1

134 1. 723 1 214 1. 719 <1

333 1. 699 2

352 1. 681 5

224 1. 675 8

063, 253 1. 671 8

271, 044 1. 665 5 441 1. 661 5

144 1. 629 1 234 1. 612 6

181 1. 583 2 054 1. 557 5

451 1. 554 7 073 1. 521 3

082 1. 518 2

353 1. 511 5 371 1. 507 6

025 1. 501 6

531 1. 465 3

254 1. 449 5

372 1. 427 11 282 1. 418 2

49
Sodium Trimetaphosphate, NasPsOg (orthorhombic) —Continued

Lattice constants

a b c

A A A

1960 Ondik and Gry- 7. 93 13. 14 7. 75

der [2]. 1962 deWolfif 7. 928 13. 22 7. 703

1963 National Bureau 7. 930 13. 220 7. 705

of Standards

at 25 °C.

The density of sodium trimetaphosphate calculated from the NBS lattice constants is 2.515 i g/cm^ at 25 °C.

References

[1] D. E. C. Corbridge and F. R. Tromans, Identification

of sodium phosphates with an x-ray focusing camera,

Anal. Chem. 30, 1101-1110 (1958).

[2] H. M. Ondik and J. W. Gryder, Crystal chemistry of

the hydrates of sodium trimetaphosphate, J. Inorg

Nucl. Chem. 14, Nos. 3/4, 240-246 (1960).

Sodium Trimetaphosphate Monohydrate, NasPgOg'HaO (orthohombic)

Powder data cards

Card Index Source

number lines

1-0977 2. 84 New Jersey Zinc Co.

3. 03

2. 60

11-391 4. 96 Corbridge and Tromans [1] 1958.

3. 57

3. 01

Card number 12-10 also is called Na3P309-H20;

however, it contains a very different pattern,

perhaps another form.

Additional published patterns. None.

NBS sample. The sample of sodium tri- metaphosphate monohj^drate was prepared at

NBS by heating sodium dihydrogen orthophosphate for 5 hr at 530 °C. Solid sodium

trimetaphosphate was salted out with NaCl

and then recrystallized several times. Spectrographic analysis showed the following major

impurities: 0.001 to 0.01 percent each of aluminum, barium, calcium, iron, potassium, magnesium, silicon, and titanium.

The sample is colorless and it is probably

optically negative. The indices of refraction are N„= 1.493, N3= 1.502, and N.,= 1.504.

The c?-values of the three strongest lines are: 3.566, 2.825, and (2.605 and 2.601)A

Structural data. Ondik and Gryder [2] in 1960

determined that sodium trimetaphosphate monohydrate has the space group C2v-P2icn (No. 33) or D^^Pmcn (No. 62) with 4(Na3P309H20) per

unit ceU.

hkl

110

Oil

111

021

121

200

130

002

012

211

131

112

022

221

122

041

141

202

310

212

132

240

311

150

051

042

013

330

113, 232

331

123, 302

312

060

052

213

Internal Standard, „ Tungsten, a = 3.1648 A

Cu, 1.5405 A at 25 °C

A

7. 144

6. 553

5. 195

4. 968

4. 289

4. 252

3. 905

3. 778

3. 633

3. 566

3. 469

3. 340

3. 278

3. 230

3. 060

3. 022

2. 848

2. 825

2. 769

2. 762

2. 716

2. 605

2. 601

2. 520

2. 491

2. 484

2. 474

2. 382

2. 375

2. 272

2. 266

2. 235

2. 198

2. 163

2. 139

42

38

49

60

32

532

17

15

100

64

60

55

73

5 100

57

10

75

518

21

39

6

17

4

4

16

<2

15

50
Sodium Trimetaphosphate Monohydrate, NagPsOg'HaO (orthorhombic) —Continued

hkl

Internal Standard, „ Tungsten, a = 3.1648 A

Cu, 1.5405 A at 25 °C

a

T1

o

400 2. 125 17

133 2. 116 12

341 QO 420 cO

332

043 2. 001 12

421, 260 1. 954 29

143 1. y'ly

350 1. ycsu 252 1 Q07 Oy

062 1. 900 6

261, 004 1. 889 11 351 1. o/U Qy

162, 431 1. OOO A 170, 412 1. 840 6

053 1. 823 9

024 1. 817 7

243, 323 1. 811 3

171, 440 1. 786 11 153 1. 781 10

352 1. 719 16

253 1. 674 17

413 1. 612 10

Lattice constants

a b c

A A

o A

1960 Ondik and 8. 53 13. 21 7. 58

Gryder [2]. 1963 National Bureau 8. 500 13. 189 7. 558

of Standards ±0. 001 ±0. 001 ±0. 001

at 25 °C.

The density of sodium trimetaphosphate monohydrate calculated from NBS lattice constants is 2.539 g-/cm3 at 25 °C.

References

[1] D. E. C. Corbridge and F. R. Tromans, Identification

of sodium phosphates with an x-ray focusing camera,

Anal. Chem. 30, No. 6, 1101-1110 (1958).

[2] H. Ondik and J. W. Gryder, Crystal chemistry of the

hydrates of sodium trimetaphosphate, J. Inorg.

Nucl. Chem. 14, 240-246 riflfiO^

Stannous Fluoride, SnFz (monoclinic)

Powder data cards. None

Additional published patterns. Nebergall,

Muhler, and Day [1] 1952.

NBS sample. The sample of stannous fluoride

was obtained from the Indiana University School

of Dentistry, Indianapolis, Ind. Spectrographic

analysis showed the following major impurities:

0.001 to 0.01 percent each of calcium and silicon.

The sample was colorless. The indices of

I refraction were not determined because the

I sample reacted with the index liquids.

The c?-valuQs of the three strongest lines are: 3.552, 3.200 and 3.379 A.

Structural data. Bergerhoff [2] in 1962 determined that stannous fluoride has the space

group C2I-C2/C (No. 15) and 16 [SnFz] per unit

cell.Difficulties in indexing the NBS pattern were

overcome with the help of single crystal work

done by Dr. Howard T. Evans Jr., of the U.S.

Geological Survey.

Lattice constants

a b c /3

0 A0 A

0 A

1962 Bergerhoff [2]. .... 13. 46 4. 92 13. 86 109°30'

1963 National Bureau of Standards

at 25 °C 13. 353 4. 9089 13. 787 019°6.5'

±.001 ±. 0004 ±.001 ±. 3'

51
stannous Fluoride, SnFg (monoclinic)—Continued

hkl

Internal Standard,

Tungsten, a = 3.1648 A

Cu, 1.5405 A at 25 °C

d /

o A

Til 4. 489 5 112 inn

204 O. O 4 V AO

311 3 2QS 2 512 fin

400 3. 155 34

204 1

1

J. X 020 Qtj 021 9 4.19 X Sll 9 ^97 2

315 2. 320 3

313 2

602 9 99^^ 1X 604 9 1 flQ in

222 9 084 \ '

Tl6 2. 059 18

516 2

224 1IDft 512 1J.. Q^4 t7U^ 1 ft 420 1 0*^8 1. oOO

516 I. 854 12

602 1. 833 <1

7l2, 224 1. 776 22

408 1. 690 2

008 1. 629 5

lol, olo 1. 6186 6

624 1. 5997 6

800 1. 5769 4

132 1. 5594 5 604 1. 5504 3

The density of stannous fluoride calculated

from the NBS lattice constants is 4.875 g/cm^

at 25 °C.

Internal Standard, „ Tungsten, a = 3.1648 A

hU Cu, 1.5405 A at 25 °C

T

I

A

332 1. 5258 5 912 1 Alio

428 1 QQ01 1. oyzi A

*t So8 1 QC1 9 1i 028 1. OOiU oit

916 1. 3517 2

10-0-4 i. ooZo 1J. 3-1 -10, 136, 820 i. t i

c0 624 i. O iU * 9

5-1 -10, 826, O-O-IO 1 HQ 1 i. oUoi

532 1. 2974 2

408 i. ZoOo 11 536 9 912 1 9AAft 1X 732 9

7- 1-10, 731 1. 2313 2

040, 734 1 997^ 11 l-l-lO 1. 2153 1 528 1. 2036 1 336 1. 1836 1

716,T0-2-4 1. 1712 2 11-1-2 1. 1645 1 244 1. 1536 1 U • / * lU, /

* 1 • ii 1. 1508 <1

440 1. 1435 <1

428 1. 1387 <1

2-0-12 1. 1335 <1

References

[1] W. H. Nebergall, J. C. Muhler, and H. G. Day, The

preparation and properties of stannous fluoride,

J. Am. Chem. Soc. 74, 1604 (1952).

[2] G. Bergerhoff, Zur Kristallstruktur des Zinn-IIfluorides, Acta Cryst. 15, 509 (1962).

52
Strontium 1:1 Borate, SrO*B203 (orthorhombic)

Powdet- data cards. None.

Additional published patterns. None.

NBS sample. The sample of strontium 1:1

borate was prepared at NBS by C. E. Weir.

A suspension of hydrogen 3 : 1 borate (boric acid)

and strontium carbonate was evaporated to dryness and heated at 1000 °C. SpectrograpMc

analysis showed the following major impurities:

0.01 to 0.1 percent each of barium and silicon;

0.001 to 0.01 percent each of calcium and sodium.

The sample is colorless and optically negative

with N„= 1.632, N^= 1.650, and N^= 1.660.

The (^-values of the three strongest lines are: 3.467, 6.013, and 2.688 A.

Structural data. Block, Perloff, and Weir [1] in 1963 determined that strontium 1:1 borate

has the space group Dzh-Pnca (No. 60) and

4(SrO-B203) per unit cell.

Lattice constants

a b c

o Ao Ao A

1963 Block, Perloff 6. 577 12. 02 4. 329

and Weir [1]. 1963 National Bureau 6. 5890 12. 018 4. 3373

of Standards ±. 0004 ±. 001 ± . 0005

at 25 °C.

The density of strontium 1 : 1 borate calculated

from the NBS lattice constants is 3.350 g/cm^ at

25 °C.

Reference

[1] S. Block, A. Perloff, and C. E. Weir. The crystallography of some M+2 borates, Acta Cryst. 17, 314

(1964).

hkl

Internal Standard,

Silver, a =4.0861 A

Cu, 1.5405 A at 25 °C

d /

A

020 6. 013 69

111 3. 467 100

200 3. 292 37

210 3. 176 47

121 3. 101 15

040 3. 004 37

220 2. 888 40

131 2. 688 67

141 2. 313 5 240 2. 221 30

002 2. 169 27

022 2. 041 21

060, 151 2. 003 58

241 1. 977 9

122 1. 948 7

311 1. 934 44

202 1. 812 8

212 1. 792 4

331 1. 760 23

222 1. 734 14

260 1. 712 10

400 1. 647 <2

420 1. 589 11 171, 242 1. 5518 O 1 ^1

430 1. 5232

351 1. 5192 } '

080 1. 5023 A4

062 1. 4712 6

440 1. 4447 0

113 1. 4020 A4

280 1. 3667 5

262 1. 3434 o8

133 1. 3320 oa 371 1. 2911 0

422 1. 2820 D 460 1. 2724 4

511 1. 2543 y 153 1. 2174 nD 531 1. 2027 1 c lo

282, 333 1. 1564

A4

2-10-0 1. 1291 <2

551 1. 1165 5 480 1. 1100 5 391 1. 1036 5 600 1. 0980 5 173 1. 0906 3

620 1. 0804 5

l-ll-l 1. 0461 <2

640 1. 0313 <2

571 1. 0161 5

2-10-2 1. 0013 3

482, 373 0. 9879 4
Terbium Arsenate, TbAs04 (tetragonal)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of terbium arsenate

was prepared at NBS from a water solution of

arsenic pentoxide and terbium trichloride. It was dried at 110 °C. Spectrographic analysis

showed the following major impurities: 0.01 to

0.1 percent silicon; 0.001 to 0.1 percent each of

antimony, calcium, iron, magnesium, and lead.

The sample was colorless. The indices of re- fraction could not be determined because the

sample was too fine.

The values of the three strongest lines are: 3.550, 2.685, and 1.834 A.

Structural data. No reference to the structure

of terbium arsenate was found, but it is apparently

isostructural with yttrium arsenate with the space

group DlM4i/amd (No. 141) and 4(TbAs04) per

unit cell.

Lattice constants

1963 National Bureau of

Standards at 25 °C.

a c

oA

7. 1025

oA

6. 3536

The density of terbium arsenate calculated from

the NBS lattice constants is 6.172 g/cm=* at 25 °C.

hkl

Internal Standard,

Tungsten, a = 3.1648 A

Co, 1.7889 A at 25° C

d 7

A

101 4. 73d 8

200 3. 550 100

112 2. 685 69

220 2. 510 22

202 2. 367 7

301 9

103 2. 029 8

321 1. 882 6

312 1. 834 53

400 1. 775 16

420 1. 5878 15

332 1. 4809 14

204 1. 4500 11 224 1. 3423 8

512 1. 2755 13

440 1. 2553 4

600, 404 1. 1838 8

532 1. 1373 8

424 1. 1230 12 116 1. 0364 4

444 0. 9849 5 316 . 9577 7 604 . 9495 3

624 . 9168 5

Thallium Chromate, Tl2Cr04 (orthorhombic)

Powder data cards. None.

Additional published patterns. Abbad and

Rivoir [1] 1947.

NBS sample. The sample of thallium chromate

was prepared at NBS from solutions of thallium

nitrate and sodium chromate. Spectrographic

analysis showed the following major impurities:

0.1 to 1.0 percent lead; 0.01 to 0.1 percent each

of aluminum and silicon; and 0.001 to 0.01 percent each of barium, calcium, and antimony.

The color of the sample was yellow. The re- fractive indices could not be determined because

the sample was too fine.

The (^-values of the three strongest lines are: 3.145, 3.060, and 3.186 A.

Structural data. Abbad and Rivoir [1] in 1947

determined that thallium chromate has the potassium sulfate structure, the space group Dzh-Pnam

(No. 62), and 4(Tl2Cr04) per unit cell.

54

The lattice constants reported by Abbad and

Rivoir have been converted from kX to angstrom \ units for comparison with the NBS values.

Lattice constants

0 h c

A A

o A

1947 Abbad and Rivoir

[1] 7. 82 10. 70 5. 92

1963 National Bureau 7. 908 10. 730 5. 913

of Standards

at 25 °C ±. 001 ±. 001 ±. 001

The density of thallium chromate calculated

from the NBS lattice constants is 6.946 g/cm^

at 25 °C.

I
Thallium Chromate, Tl2Cr04 (orthorhombic) —Continued

hkl

Internal Standard, „ Tungsten, a = 3. 1648 A

Cu, 1.5405 A at 25 °C

d /

o A

020 5. 37 5

Oil 5. 19 8

120 4. 45 12

111 4. 337 23

210 3. 714 15

121 3. 553 54

201 3. 290 27

130 3. 263 24

220 3. 186 57

211 3. 145 100

031 3. 060 96

002 2. 958 53

221 2. 805 14

040, 112 2. 685 g

230 2. 654 16

310 2. 561 28

140 2. 540

122 2. 461 15

320 2. 366 8

311 2. 349 13

141 2. 336 10

212 2. 314 10

240 2. 221 11 321 2. 197 15

132 2. 191 13

222 2. 167 32

330 2. 122 9

241 2. 079 17

150 2. 071 15

051 2. 017 4

440 1. 977 19

232 1 97^ 16

151 1 9^4 5 312 1. 936 14

142 1. 9270

250 1. 8863 9

401 1. 8750 12

420 1. 8553 15

322, 411 1. 8472 14

123 1. 8013 26

341 1. 7921 26

060 1. 7885 14

242 1. 7755 7 203 1. 7640 7 213 1. 7409 17

hkl

Internal Standard, „ Tungsten, a = 3.1648 A

Cu, 1.5405 A at 25 °C

d /

o A

430 1. 7305 22

033 1. 7259 19

332 1. 7235 14

152 1. 6963 15

161 1. 6726 13

431 1. 6603 9

402 1. 6434 5 260 1. 6294

412 1. 6250 5 252 1. 5903 6

422, 261 1. 5713 10

143 1. 5573 3

062 1. 5299 g 520 1 51 67 g 511 1. 5125 g

170 1. 5045 6

432 1. 4931

071 1. 4837 7 004 1. 4782 5 521 1. 4696 5

450 1. 4539 4

361 1. 4355 g 262 1. 4271 5

124, 442 1. 4020 3

403 1. 3959 4

413 1. 3842 4

540 1. 3623 6

343 1. 3602 5 522 1. 3498 5

134 1. 3462 5

080, 172, [ 1. 3410 6

224 j 370 1. 3250 6

600 1. 3182 4

Reference

[1] M. Abbad and L. Rivoir, La estructura del cromato

talioso, Anales Soc. espafi. fis. y. quim 43, 831-836

(1947)

55
Thulium Arsenate, TmAs04 (tetragonal)

Powder data cards. None.

Additional published patterns. None.

NBS sample. The sample of thulium arsenate

was prepared at NBS from a water solution of

arsenic pentoxide and thulium trichloride. It was

dried at 110 °C. Spectrographic analysis showed

the following major impurities: 0.01 to 0.1 percent

each of silicon and antimony; 0.001 to 0.01 percent

each of aluminimi, calcium, iron, lead, and

magnesium.

The sample was colorless. The indices of re- fraction could not be determined because the

sample was too fine.

The (^-values of the three strongest lines are: 3.497, 2.644, and 1.8064 A.

Structural data. No reference to the structure

of thulium arsenate was found, but it is apparently

isostructural with yttrium arsenate with the space

group Dlg-l4i/amd (No. 141) and 4(TmAs04)

per unit cell.

Lattice constants

a c

o Ao A

1963 National Bureau of Standards at 25 °C 6. 9939 6. 2595

± 0. 0003 ± 0. 0003

The density of thulium arsenate calculated from

the NBS lattice constants is 6.678 g/cm^ at 25 °C.

hkl

Internal Standard, „ Tungsten, o = 3.1648 A

Cu, 1.5405 A at 25 °C

d /

oA

101 4 667 11 200 3. 497 100

211 2. 796 5 112 2. 644 72

220 2. 473 23

202 2. 333 5 301 2. 1851 10

103 1. 9993 7 321 1. 8524 7 312 1. 8064 55

400 1. 7483 16

1. 7354 3

420 1. 5638 15

1. 4584 15

1. 4281 14

501 1. 3853 3

1. 3224 8

1. 2566 11 440 1. 2361 4

fiOO 404 1. 1660 7

532 1. 1199 8

1. 1060 12

lift 1. 0207 3

4Ti fiT^ 1. 0073 <2

444 fi4n 0. 9701 5

316, 552 . 9433 10

604 0

fi94 . 9032 4

. 8814 5 800 . 8743 <2

217 . 8597 <2

820 . 8480 2 516 . 8304 5 644 . 8245 4

536 . 7872 5

56
Titanium Dioxide, brookite, Ti02 (orthorhombic)

owder data cards

number

Index

lines

Source

3-0380 3. 47

2. 90

1. 88

British Museum.

Additional published patterns. Sturdivant and

Pauling [1]. NBS sample. The sample of brookite was

obtained from the U.S. National Museum. No.

97661 from Magnet Cove, Ark. Spectrographic

analysis showed the following major impurities:

D.l to 1.0 percent silicon; 0.01 to 0.1 percent

Bach of aluminum, iron, and vanadium; 0.001 to

D.Ol percent magnesium.

The color of the sample was black. The

Indices of refraction were not determined because

they were higher than 2.00.

The c?-values of the three strongest lines are:

3.512, 2.900, and 3.465 A.

Structural data. Sturdivant and Pauling [1] in 1928 determined that brookite has the space

group D^^Pcab (No. 61) and SCTiOs) per unit

cell. Several lattice constants have been converted from kX to angstrom units for comparison

with the NBS values.

Lattice constants

1928

1928

1932

1963

Sturdivant and

Pauling [1]. Schroder [2] Phillips [3] National Bureau

of Standards

at 25 °C.

A

5. 447

5. 450

5. 44

» 5. 4558

±. 0004

b5. 456

±. 002

A

9. 185

9. 154

9. 20

9. 1819

±. 0007

9. 174

±. 001

A

5. 145

5. 163

5. 14

5. 1429

±. 0003

5. 138

±. 001

> Sample described above. ^Sample from the National Museum No. R2108 from von der Soule, Virven,

Tyrol. Spectrographic analysis showed the following major impurities: 0.1

to 1.0 percent iron; 0.01 to 0.1 percent each of magnesium, silicon, and vanadium; and 0.001 to 0.01 percent each of aluminum, barium, and manganese. The lattice constants given were derived from powder pattern data.

The density of brookite calculated from the

NBS lattice constants (a) is 4.120 g/cm^ at 25 °C.

References

j[l] J. H. Sturdivant and L. Pauling, The crystal structure

j of brookite, Z. Krist. 68, 239 (1928).

[2] A. Schroder, Rontgenographische Feinbauuntersuchung

am Brookit und tiber physikahsche Eigenschaften

der drei Titandioxyde, Z. Krist. 66, 493 (1928).

[3] F. C. Phillips, Crystals of brookite tabular parallel to the basal plane, Min. Mag. 23, 126-129 (1932).

hkl

Internal Standard, „ Silver, a= 4.0861 A

CuX= 1.5405 A at 25 °C

d /

o A

120 3. 512 100

111 3. 465 79

121 2. 900 91

200 2. 729 4

012 2. 476 23

201 2. 409 18

131 2. 370 6

220 2. 344 4

211 2. 332 4

040 2. 296 5

112 2. 254 8

022 2. 244 18

221 2. 133 16

032 1. 9685 16

231 1. 8934 28

132 1. 8514 18

212 1. 8332 3

240 1. 7568 3

320 1. 6908 21

241 1. 6617 28

151 1. 6486 5 113 1. 6098 13

232 1. 5968 2 123 1. 5408 7 052 1. 4942 10

160 1. 4729 4

312 1. 4656 9

251 1. 4609 12

203 1. 4515 12

152 1. 4415 6

213 1. 4336 10

161 1. 4167 9

400 1. 3640 5

1. 3358 8

401 1. 3186 3

233 1. 3116 2 004 1. 2852 2 024 171 1. 2381 10

431 1. 2107 2 124 1. 2074 1

333 1. 1552 4

080 1. 1480 2 441 1. 1432 2 044 1. 1217 4

521, 423 1. 0399 3

281 1. 0366 2 324 1. 0237 4

125 0. 9873 2

372, 254 . 9829 4
1

Zinc Telluride, ZnTe (cubic)

Powder data cards

Card

number

Index

lines Source

1-0582 3. 50

2. 14

1. 83

New Jersey Zinc Co.

Additional published patterns. None.

NBS sample. The sample of zinc telluride

was obtained from Semi-Elements, Inc., Saxonbm-g, Pa. Spectrographic analysis showed the

following major impxirities: 0.01 to 0.1 percent

of silicon, and 0.001 to 0.01 percent each of

aluminum, barium, iron, and magnesium.

The color of the sample was reddish-brown.

The indices of refraction were too high to be

determined by the usual grain-immersion method.

The c?-values of the three strongest lines are: 3.523, 2.159, and 1.840 A.

Structural data. Zachariasen [1] in 1925 determined that zinc telluride has the zinc sulfide

structure, the space group Td-F43m (No. 216),

and 4[ZnTe] per unit cell. The unit cell measure- ment reported by Zachariasen has been converted

from kX to angstrom units for comparison with

the NBS value.

Internal Standard „ Tungsten, a = 3. 1648 A

hkl Cu, 1.5405 A at 25 °C

d

r

i a

A

oA 111 1 nn D. 1 09

200 O. UOi 1 n 6. 102

220 9 1 ol 6. 107

311 1. O^U ^7o / D. 1 uo lZZ 1. 762 3

a

D.

400 i. QO

Au. 331 1 ^ 6. 104

420 1. OO'iO QO 6. 102

422 1 0 a 102

C 1 1 511 1. 1745 7 6. 103

440 1. 0789 3 6. 1028

531 1. 0315 6 6. 1042

600 1. 0171 1 6. 1026

620 0. 9648 6 6. 1022

533 . 9307 3 6. 1028

622 . 9200 1 6. 1026

444 . 8808 1 6. 1026

711 . 8545 6 6. 1024

642 . 8155 8 6. 1026

731 . 7945 6 6. 1026

Average value of last five lines 6. 1026

Lattice constants i

o A

ii

1

1925 Zachariasen [1]. 6. 101

1963 National Bureau of Standards

at 25 °C 6. 1026 Reference [

The density of zinc telluride calculated from

the NBS lattice constant is 5.639 g/cm^ at 25 °C.

[1] W. Zachariasen, The crystal structure of the telluride^

of zinc, cadmium, and mercury, Norsk, geol

Tidskrift 8, 302-306 (1925).

58
CUMULATIVE INDEX TO CIRCULAR 539, VOLUMES 1, 2, 3, 4, 5, 6, 7, 8, 9, 10,

MONOGRAPH 25, SECTIONS 1, 2, AND 3^

Aluminum, Al

Aluminum antimony, AlSb — Aluminum calcium sulfate hydrate (ettringite), Al203-6CaO-3S03-3lH20

Aluminum chloride hexahydrate (chloraluminite), AlCls-eHjO

Aluminum fluosilicate, topaz,

Al2Si04(F,OH)2

Aluminum metaphosphate, A1(P03)3

Aluminium orthophosphate (berlinite),

AIPO4 (trigonal)

Aluminum orthophosphate, AIPO4 (orthorhombic)

Aluminum oxide, (corundum), alpha AI2O3--

Aluminum oxide monohydrate (bohmite),

alpha AUOa-HzO

Aluminum oxide monohydrate diaspore,

beta A1203-H20

Aluminum 3:2 silicate (mullite),

3Al203-2Si02

Ammonium aluminum sulfate dodecahydrate (teschermigite), NH4A1(S04)2-12H20_

Ammonium azide, NH4N3

Ammonium bicarbonate (teschemacherite),

(NH4)HC03

Ammonium bromide, NH4Br

Ammonium bromoosmate, (NH4)OsBr6

Ammonium bromoplatinate, (NH4)2PtBr6

Ammonium bromoselenate, (NH4)2SeBr6

Ammonium bromotellurate, (NH4)2TeBr6

Ammonium chloride (sal-ammoniac),

NH4CI

Ammonium chloroiridate (NH4)2lrCl6

Ammonium chloroosmate, (NH4)20sCl6

Ammonium chloropalladate, (NH4)2PdCl6---

Ammonium chloropalladite, (NH4)2PdCl4

Ammonium chloroplatinate, (NH4)2PtCl6

Ammonium chlorostannate (NH4)2SnCl6

Ammonium chlorotellurate, (NH4)2Te Cle Ammonium chromium sulfate dodecahydrate, NH4Cr(S04)2-12H20 Ammonium dihydrogen phosphate,

NH4H2PO4

Ammonium fluoberyllate, (NH4)2BeF4

Ammonium fluoborate, NH4BF4

Ammonium fluogermanate, (NH4)2GeF6

Ammonium fluosilicate (cryptohalite),

(NH4)2SiF6

Ammonium gallium sulfate dodecahydrate,

NH4Ga(S04)2-12H20

Ammonium iodide, NH4I

Ammonium iron sulfate dodecahydrate,

NH4Fe(S04)2-12H20

Ammonium metavanadate, NH4VO3

Ammonium nitrate (ammonia-niter),

NH4NO3

Ammonium oxalate monohydrate (oxam-

; mite), (NH4)2C204-H20

Ammonium perchlorate, NH4CIO4, (orthorhombic)

Ammonium perrhenate, NH4Re04

Ammonium phosphomolybdate tetrahydrate, (NH4)3P04(Mo03)i2-4H20

Ammonium sulfate (mascagnite), (NH4)2S04

(revised)

Ammonium zirconium fluoride, (NH4)3ZrF7—

Antimony, Sb

Antimony (III) fluoride, SbFa

Vol. or

sec. Page

1 11 4 72

8 3

7 3

iin A 2m 3

10 3

10 4

9 3

3 38

3 41

OIII Q0

aDQ

Q A*±

9 6

2 49

q0 711 J. Qy 0

c0 A

Q0

c0

11 oy

00 0

Im 6

8 7 6 6

5 3

0

A 00

Q0

aD 7

4 64

3m 5 oiu

6

Ru8

0 0

6 9

4 56

6 10

8 9

7 4

7 5

74 a0

y

7

Q0 1 0

9 8

6 14

3 14

2m 4

» Frrther work on this program is in progress, and it is anticipated tbat

additional sections will be issred. Therefore, the accumulative index here

Is not necessarily the concluding index for the project. m—Monograph 25.

Vol. or

sec. Antimony (III) iodide, Sbis 6

Antimony (III) oxide (senarmontite), Sb203

(cubic) 3 Antimony (III) oxide, valentinite, Sb203

(orthorhombic) 10

Antimony (IV) oxide (cervantite), Sb204 10

Antimony (V) Oxide, Sb206 10

Antimony selenide, Sb2Se3 3m

Antimony (III) sulfide (stibnite), Sb2S3 5 Antimony telluride, Sb2Te3 3m

Arsenic, As 3

Arsenic (III) iodide, Asis 6

Arsenic trioxide, claudetite, AS2O3 (monoclinic) 3m

Arsenic trioxide (arsenolite) , AS2O3 (cubic)-- 1 Barium, Ba 4

Barium arsenate, Ba3(As04)2 2m

Barium bromide monohydrate, BaBr2-H20.- 3m

Barium carbonate (witherite), BaCOs (orthorhombic) 2 Barium carbonate, BaC03(cubic) at 1075 °C 10

Barium fluoride, BaF2 1 Barium molybdate, BaMo04 7 Barium nitrate (nitrobarite), Ba(N03)2 1 Barium perchlorate trihydrate,

Ba(C104)2-3H20 2m

Barium peroxide, Ba02 6

Barium stannate, BaSnOs 3m

Barium sulfate (barite), BaS04 3

Barium sulfide, BaS 7 Barium titanate, BaTi03 3

Barium tungstate, BaW04 7 Barium zirconate, BaZrOs 5 Beryllium aluminum oxide (chrysoberyl),

BeAl204 9

Beryllium aluminum silicate, beryl,

Be3Al2(Si03)6 9

Beryllium chromium oxide, BeCr204 10

Beryllium germanate, Be2Ge04 10

Beryllium orthosilicate, phenacite, Be2Si04_- 8

Beryllium oxide (bromellite) , BeO 1 Bismuth, Bi 3

Bismuth fluoride, BiFs Im

Bismuth (III) iodide, Bil3 6

Bismuth orthophosphate, BiP04 (monoclinic) 3m

Bismuth orthophosphate, BiP04 (trigonal).- 3m

Bismuth orthovanadate, low form, BiV04

(tetragonal) 3m

Bismuth orthovanadate, high form, BiV04

(monoclinic) 3m

Bismuth oxybromide, BiOBr 8

Bismuth oxychloride (bismoclite), BiOCl 4

Bismuth oxyiodide, BiOI 9

Bismuth sulfide (bismuthinite), Bi2S3 4

Bismuth telluride (tellurobismuthite),

Bi2Te3 3m

Bismuth trioxide (bismite), alpha Bi203 3m

Cadmium, Cd 3

Cadmium bromide, CdBr2 9

Cadmium carbonate (otavite), CdC03 7 Cadmium chloride, CdCl2 9

Cadmium cyanide, Cd(CN)2 2m

Cadmium molybdate, CdMo04 6

Cadmium oxide, CdO 2 Cadmium perchlorate hexahydrate,

Cd(C104)2-6H20 3m

Cadmium selenide, CdSe, (hexagonal) 7 Cadmium sulfate, CdS04 3m

Cadmium sulfide (greenockite), CdS 4

Cadmium telluride, CdTe 3m

Cadmium tungstate, CdW04 2m

Page

16

31

10

76

8

6

17

9

51

7

6

10

54

1170

7 81

7

18

1165

8

45

9

10

13

12

13

11

36

20

7

20

1113

14

14

14

54

16

23

16

17

10

17

1118

8

21

27

19

12

20

15

21

59
CUMULATIVE INDEX TO CIRCULAR 539, VOLUMES 1, 2, 3, 4, 5, 6, 7, 8, 9, 10,

MONOGRAPH 25, SECTIONS 1, 2, AND 3^—Continued

Vol. or

sec. Page

tri-Calcium aluminate, 3CaO-Al203 5 10

Calcium aluminate 12:7, 12CaO-7Al203 9 20

Calcium aluminum germanate,

Ca3Al2(Ge04)3 10 15

Calcium bromide hexahydrate, CaBr2-6H20- 8 15

Calcium carbonate (aragonite), CaCOs (orthorhombic) 3 53

Calcium carbonate (calcite) CaCOs (hexagonal) 2 51

Calcium chromate, CaCr04 7 13

Calcium chromium germanate,

Ca3Cr2(Ge04)3 10 16

Calcium chromium silicate (uvarovite),

Ca3Cr2(Si04)3 10 17

Calcium fluoride (fluorite), CaF2 1 69

Calcium fluoride phosphate (fluorapatite),

Ca5F(P04)3 3m 22

Calcium formate, Ca(HC02)2 8 16

Calcium gallium germanate, Ca3Ga2(Ge04)3- 10 18

Calcium hydroxide (portlandite), Ca(0H)2-- 1 58

Calcium iron germanate, Ca3Fe2(Ge04)3 10 19

Calcium iron silicate (andradite),

Ca3Fe2Si30,2 9 22

Calcium molybdate (powellite), CaMo04 6 22

Calcium nitrate, Ca(N03)2 7 14

Calcium oxide, CaO 1 43

Calcium sulfate (anhydrite), CaS04 4 65

Calcium sulfide (oldhamite), CaS 7 15

Calcium tungstate scheelite, CaW04 6 23

Carbon, diamond, C 2 5 Cerium (III) chloride, CeCl3 Im 8

Cerium (III) fluoride, CeF3 8 17

Cerium, magnesium nitrate 24-hydrate,

Ce2Mg3(N03)i2-24H20 10 20

Cerium niobium titanium oxide (eschynite),

CeNbTiOa 3m 24

Cerium (IV) oxide (cerianite) Ce02 1 56

Cerium (III) vanadate, CeV04 Im 9

Cesium aluminum sulfate dodecahydrate,

CsAl(S04)2-12H20 6 25

Cesium bromate, CsBr03 8 18

Cesium bromide, CsBr 3 49

Cesium bromoosmate (IV), Cs20sBr6 2m 10

Cesium bromoplatinate, Cs2PtBr6 8 19

Cesium bromoselenate, Cs2SeBr6 8 20

Cesium bromotellurate, Cs2TeBr6 9 24

Cesium chlorate, CSCIO3 8 20

Cesium chloride, CsCl 2 44

Cesium chloroosmate (IV), Cs20sCl6 2m 11 Cesium chloroplatinate, Cs2PtCl6 5 14 Cesium chlorostannate, Cs2SnCl6 5 16

Cesium chromate, Cs2Cr04 3m 25

Cesium chromium sulfate dodecahydrate,

CsCr(S04)2-12H20 8 21

Cesium dichloroiodide, CsICl2 3 50

Cesium fluoborate, CSBF4 8 22

Cesium fluogermanate, Cs2GeFfl 5 17

Cesium fluoplatinate, Cs2PtF6 6 27

Cesium fluoride, CsF 3m 26

Cesium fluosilicate, Cs2SiF6 5 19

Cesium gallium sulfate dodecahydrate,

CsGa(S04)2-12H20 8 23

Cesium iodide, Csl 4 47

Cesium iron sulfate dodecahydrate,

CsFe(S04)2-12H20 6 28

Cesium nitrate, CSNO3 9 25

Cesium perchlorate, CSCIO4, (orthorhombic)- Im 10

Cesium sulfate CS2SO4 7 17

Cesium vanadium sulfate dodecahydrate,

CsV(S04)2-12H20 Im 11 Chromium, Cr 5 20

Chromium orthophosphate, alpha, CrP04--- 2m 12 m—Monograph 25.

60

Vol. or

sec. Page

Chromium orthophosphate, beta, CrP04 9 26

Chromium (III) oxide, Cr203 5 22

Chromium silicide, CrsSi 6 29

Cobalt aluminum oxide, C0AI2O4 9 27

Cobalt arsenide (skutterudite), CoAss 10 21 Cobalt(II) carbonate (spherocobaltite),

C0CO3 10 24

Cobalt diarsenide, CoAs2 10 26

Cobaltfluosilicate hexahydrate, CoSiF6-6H20- 3m 27

Cobalt gallate, CoGa204 10 27

Cobalt germanate, Co2Ge04 10 27

Cobalt iron arsenide (safflorite), CoFeAs4 10 28

Cobalt mercury thiocyanate, Co[Hg(CNS)4]- 2m 13

Cobalt(II) oxide, CoO 9 28

Cobalt(II, III) oxide, C03O4 9 29

Cobalt perchlorate hexahydrate, Co(C104)2-

6H2O 3m 28

Cobalt sulfate, beta, C0SO4 2m 14

Copper, Cu 1 15

Copper(I) bromide, CuBr 4 36

Copper carbonate basic, azurite, Cu3(OH)2

(C03)2 10 30

Copper carbonate, basic, (malachite),

Cu2(OH)2C03 10 31

Copper(I) chloride (nantokite), CuCl 4 35

Copper(I) iodide (marshite), Cul 4 38

Copper(I) oxide (cuprite), CU2O 2 23

Copper (II) oxide (tenorite), CuO 1 49

Copper sulfate (chalcocyanite), CUSO4 3m 29

Copper (II) sulfide (covellite), CuS 4 13

Dysprosium arsenate, DyAs04 3m 30

Dysprosium gallium oxide 3:5,

Dy3Ga2(Ga04)3 2m 15

Dysprosium sesquioxide, Dy203 9 30

Erbium arsenate, ErAs04 3m 31

Erbium gallium oxide 3:5, Er3Ga2(Ga04)3 Im 12 Erbium manganite, ErMn03 2m 16

Erbium phosphate, ErP04 9 31

Erbium sesquioxide, Er203 8 25

Europium arsenate, EuAs04 3m 32

Europium (III) chloride, EUCI3 Im 13

Europium gallium oxide 3: 5, Eu3Ga2(Ga04) 3- 2m 17

Europium oxychloride, EuOCl Im 13

Gadolinium fluoride, GdFs Im 14

Gadolinium gallium oxide 3:5,

Gd3Ga2(Ga04)3 2m 18

Gadolinium oxide, Gd203 Im 16

Gadolinium oxychloride, GdOCl Im 17

Gallium, Ga 2 9

Gallium arsenide, GaAs - 3m 33

Gallium antimonide, GaSb 6 30

Gallium oxide, alpha, Ga203 4 25

Gallium phosphate (a-quartz type), GaP04-_ 8 27

Germanium, Ge 1 18

Germanium dioxide, Ge02 (hexagonal)

(low form) 1 51

Germanium dioxide, Ge02 (tetragonal)

(high form) 8 28

Germanium (IV) iodide, Gel4 5 25; Gold, Au 1 33

Gold antimony 1 : 2 (aurostibite), AuSb2 7 18|

Gold(I) cyanide, AuCN 10 33; Gold tin, 1:1 AuSn 7 19

Hafnium, Hf 3 18[ Holmium arsenate, HoAs04 3m 34^ Holmium ethylsulfate nonahydrate, j Ho [(C2H)5S04]3-9H20 Im 18

Holmium sesquioxide, H02O3 9 32|

Indium, In 3 12' Indium antimony, InSb 4 73' Indium arsenide, InAs 3m 35' Indium oxide, In203 5 26' Indium phosphate, InP04 8 29'
CUMULATIVE INDEX TO CIRCULAR 539, VOLUMES 1, 2, 3, 4, 5, 6, 7, 8, 9, 10,

MONOGRAPH 25, SECTIONS 1, 2, AND 3^—Continued

Iodic acid, HIO3

Iodine, I2 Iridium, Ir Iron, alpha Fe

Iron arsenide, FeAs

Iron arsenide (loellingite) , FeAs2

Iron sulfide (pyrite), FeS2

Lanthanum arsenate, LaAs04

Lanthanum borate, LaBOs

Lanthanum chloride, LaCls

Lanthanum fluoride, LaFs

Lanthanum magnesium nitrate 24-hydrate,

La2Mg3(N03)i2-24H20

Lanthanum niobium titanium oxide,

LaNbTiOe

Lanthanum oxide, La203

Lanthanum oxychloride, LaOCl

Lead, Pb

Lead bromide, PbBr2

Lead carbonate (cerrussite), PbC03

Lead chloride (cotunnite), PbCl2

Lead formate, Pb(HC02)2

Lead fluochloride (matlockite), PbFCl

Lead fluoride, alpha PbF2 (orthorhombic) _ Lead fluoride, beta PbF2 (cubic)

Lead (II), iodide, Pbia

Lead molybdate (wulfenite), PbMo04

Lead monoxide (litharge), PbO (red) tetragonal. .- Lead monoxide (massicot), PbO (yellow)

(orthorhombic)

Lead nitrate, Pb(N03)2

Lead (II, III) oxide (minium), Pb304

Lead phosphate hydrate, Pb5(P04)30II

Lead selenide (clausthalite), PbSe

Lead sulfate (anglesite), PbS04

Lead sulfide (galena), PbS

Lead titanate, PbTiOs

Lead tungstate (stolzite), PbW04

Lithium arsenate, Li3As04

Lithium bromide, LiBr

Lithium chloride, LiCl

Lithium fluoride, LiF

Lithium iodate, LilOs

Lithium molybdate, Li2Mo04, (trigonal)

Lithium oxide, Li20

Lithium nitrate, LiN03

Lithium perchlorate trihydrate, LiC104-3H20

Lithium phosphate, low form, (lithiophosphate), Li3P04

Lithium phosphate, high form, Li3P04

Lithium trimetaphosphate trihydrate,

Li3P30s-3H20

Lithium tungstate, Li2W04, (trigonal)

Lithium tungstate hemihydrate,

I Li2W04-K2H20

I Lutetium gallium oxide 3 : 5, Lu3Ga2(Ga04)3_ _

I Lutetium manganite, LuMn03

Lutetium oxide, LU2O3

Magnesium, Mg

Magnesium aluminate (spinel), Mg AI2O4

Magnesium aluminum silicate (low-cordierite), Mg2Al4Si50i8 (orthorhombic)

Magnesium aluminum silicate (high-cordierite), Mg2Al4Si50i8 (hexagonal)

Magnesium ammonium phosphate hexahydrate, (struvite), MgNHiPOi-GHjO

Magnesium carbonate (magnesite), MgCOa.

Magnesium chromite (picrochromite),

MgCr204

' Magnesium fluoride (sellaite), MgF2

Magnesium gallate, MgGa204

m—Monograpli 2o.

Vol. or

5 Zo

6 Id

A4 y 4

Q0

Im 1 ri j.y 10 34

5 29

3m 36

Im 20

im /i

i Zi

im

om 01

Q0 QQ00

i 00

i o4

£i A 7 00

0

£1 A 8 30

1 76

5 31

5 33

r0 o4

n

i OQ

£i oU

L

0 OD

Q

Q 66

C0 60

Q 0/ z

1 0 dy

i Z4

/m 1 0

OU

1i1 61

7 26

im

Im 25

7 27

0 QA

3m 38

om oy

zm on im 0zo 2m 20

2m 22

2m 23

Im 27

1 10

2 35

Im 28

1 » . im

om 4.1 rr J. 7 28

9 34

4 33

10 36

Vol. or

sec. Page

Magnesium germanate, Mg2Ge04 (cubic) 10 37

Magnesium germanate, Mg2Ge04 (orthorhombic) 10 38

Magnesium hydroxide (brucite), Mg(0H)2-_ 6 30

Magnesium oxide (periclase), MgO 1 37

Magnesium silicate, enstatite, MgSi03 6 32

Magnesium silicate (forsterite), Mg2Si04 1 83

Magnesium silicate fluoride (norbergite),

Mg2Si04-MgF2 10 39

Magnesium silicate fluoride (humite),

3Mg2Si04-MgF2 Im 30

Magnesium sulfate heptahydrate (epsomite),

MgS04-7H20 7 30

Magnesium sulfide, MgS 7 31

Magnesium tin, Mg2Sn 5 41

Magnesium titanate (geikielite), MgTi03 5 43

Magnesium tungstate, MgW04 1 84

Manganese aluminate (galaxite), MnAl204-- 9 35

Manganese(II) carbonate (rhodochrosite),

MnCOs 7 32

Manganese ferrite (jacobsite), MnFe204 9 36

Manganese(II) oxide (manganosite), MnO_ 5 45

Manganese(III) oxide (partridgeite), Mn203- 9 37

Manganese selenide, MnSe 10 41

Manganese sulfide (alabandite),

alpha MnS 4 11 Manganese (II) tungstate (huebnerite),

MnW04 2m 24

Mercury(I) bromide, Hg2Br2 7 33

Mercury(I) chloride (calomel), HgjClz 1 72

Mercury(II) chloride, HgClj 1 73

Mercury(II) cyanide, Hg(CN)2 6 35

Mercury(II) fluoride, HgF2 2m 25

Mercury(I) iodide, Hgl 4 49

Mercury(II) iodide, Hgl2 1 74

Mercury(II) oxide (montroydite), HgO-_

(revised) 9 39

Mercury(II) selenide (tiemannite), HgSe 7 35

Mercury(II) sulfide (cinnabar), HgS (hexagonal) 4 17

Mercury(II) sulfide (metacinnabar), HgS

(cubic) 4 21

Molybdenum, Mo 1 20

Molybdenum disulfide (molybdenite), M0S2 5 47

Molybdenum trioxide (molybdite), M0O3--- 3 30

Neodymium borate, NdBOs Im 32

Neodymium chloride, NdCl3 Im 33

Neodymium ethylsulfate nonahydrate,

Nd[(C2H5)S04]3-9H20 9 41

Neodymium fluoride, NdFs 8 36

Neodymium gallium oxide 3:5,

Nd3Ga2(Ga04)3 Im 34

Neodymium oxide, Nd203 4 26

Neodymium oxychloride, NdOCl 8 37

Nickel, Ni 1 13

Nickel aluminate, NiAl204 9 42

Nickel arsenic 1 : 2 (rammelsbergite), NiAs2- 10 42

Nickel arsenic sulfide (gersdorffite), NiAsS) - Im 35

Nickel (II) carbonate, NiCOs (trigonal) Im 36

Nickel ferrite (trevorite), NiFe204 10 44

Nickel fluosilicate hexahydrate, NiSiF6-6H20- 8 38

Nickel gallate, NiGa204 10 45

Nickel germanate, Ni2Ge04 9 43

Nickel (II) oxide (bunsenite), NiO 1 47

Nickel sulfate, NiS04 2m 26

Nickel sulfate hexahydrate (retgersite)

,

NiS04-6H20 7 36

Nickel sulfide, millerite, NiS Im 37

Nickel tungstate, NiW04 2m 27

Niobium silicide, NbSi2 8 39

Osmium, Os 4 8

Palladium, Pd 1 21

Palladium oxide, PdO 4 27

61
CUMULATIVE INDEX TO CIRCULAR 539, VOLUMES, 1, 2, 3, 4, 5, 6, 7, 8, 9,

MONOGRAPH 25, SECTIONS 1, 2, AND 3^—Continued

Vol. or

see. Page

Platinum, Pt 1 31

Potassium aluminum sulfate dodecahydrate

(alum), KA1(S04)2-12H20 6 36

Potassium borohydride, KBH4 9 44

Potassium bromate, KBrOs 7 38

Potassium bromide, KBr 1 66

Potassium bromoplatinate, K2PtBr6 8 40

Potassium bromoselenate, K2SeBr6 8 41

Potassium chlorate, KCIO3 3m 42

Potassium chloride (sylvite), KCl 1 65

Potassium chloroplatinate, KsPtCle 5 49

Potassium chlororhenate, K2ReCl6 2m 28

Potassium chlororuthenate (IV), K2RUCI6-- 10 46

Potassium chlorostannate, K2SnCl6 6 38

Potassium chromium sulfate dodecahydrate,

KCr(S04)2-12H20 6 39

Potassium cobaltinitrite, K3Co(N02)6 9 45

Potassium cyanate, KCNO 7 39

Potassium cyanide, KCN 1 77

Potassium dihydrogen arsenate, KH2ASO4-- Im 38

Potassium dihydrogen phosphate, KH2PO4 - 3 69

Potassium fluogermanate, K2GeF6 6 41

Potassium fiuoplatinate, K2PtF6 6 42

Potassium fluoride, KF 1 64

Potassium fluosilicate (hieratite), K2SiF6— 5 50

Potassium fluotitanate, K2TiF6 7 40

Potassium heptafluozirconate, KsZrFy 9 46

Potassium hvdroxy-chlororuthenate,

K4Ru2Cl,o6-H20 10 47

Potassium iodide, KI 1 68

Potassium lithium sulfate, KLiS04 3m 43

Potassium metaperiodate, KIO4 7 41

Potassium nitrate (niter), KNO3 3 58

Potassium nitroso chlororuthenate,

KsRuCleNO 2m 29

Potassium perchlorate, KCIO4 6 43

Potassium perchromate, KaCrOs 3m 44

Potassium permanganate, KMn04 7 42

Potassium perrhenate, KRe04 8 41

Potassium phosphomolybdate, tetrahydrate,

K2P04(Mo03)i2-4H20 8 43

Potassium sulfate (arcanite), K2SO4 3 62

Potassium thiocynate, KCNS 8 44

Potassium zinc decavanadate 16 hydrate,

K2Zn2Vio028-16H20 3m 45

Potassium zinc fluoride, KZnFs 5 51

Praseodymium chloride, PrCls Im 39

Praseodymium fluoride, PrFs 5 52

Praseodymium oxychloride, PrOCl 9 47

Rhenium, Re 2 13

Rhodium, Rh 3 9

Rubidium aluminum sulfate dodecahydrate,

RbAl(S04)2-12H20 6 44

Rubidium bromate, RbBrOs 8 45

Rubidium bromide, RbBr 7 43

Rubidium bromotellurate, Rb2TeBr6 8 46

Rubidium chlorate, RbClOs 8 47

Rubidium chloride, RbCl 4 41

Rubidium chloroplatinate, Rb2PtCl6 5 53

Rubidium chlorostannate, Rb2SnCl8 6 46

Rubidium chlorotellurate, Rb2TeCl6 8 48

Rubidium chromate, Rb2Cr04 3m 46

Rubidium chromium sulfate dodecahydrate,

RbCr(S04)2-12H20 6 47

Rubidium fiuoplatinate, Rb2PtF6 6 48

Rubidium fluosilicate, Rb2SiF6 6 49

Rubidium iodide, Rbl 4 43

Rubidium perchlorate, RbC104 2m 30

Rubidium periodate, RbI04 2m 31

Rubidium sulfate, Rb2S04 8 48

Ruthenium, Ru 4 5 m—Monograph 26.

Vol. or

sec. Samarium chloride, SmCls Im

Samarium fluoride, SmFs Im

Samarium gallium oxide 3 : 5, Sm3Ga2(Ga04)3_ Im

Samarium oxychloride, SmOCl Im

Scandium oxide, SC2O3 3 Scandium phosphate, SCPO4 8

Selenium, Se 5 Selenium dioxide (selenolite), Se02 1 Silicon, Si 2

Silicon dioxide alpha or low quartz, Si02

(hexagonal) 3

Silicon dioxide (alpha or low cristobalite),

Si02 (Revised) (tetragonal) 10

Silicon dioxide (beta or high crisobalite)

,

Si02 (cubic) 1 Silver, Ag 1 Silver antimony telluride, AgSbTe2 3m

Silver arsenate, Ag3As04 5 Silver bromate, AgBrOs 5

Silver bromide (bromyrite), AgBr 4

Silver carbonate, Ag2C03 Im

Silver chlorate, AgC103 7 Silver chloride, (cerargyrite), AgCl 4

Silver iodide (iodyrite), Agl (hexagonal) 8

Silver iodide, gamma, Agl (cubic) 9

Silver metaperiodate, AgI04 9

SUver molybdate, Ag2Mo04 7 Silver nitrate, AgN03 5

Silver nitrite, AgN02 5 Silver oxide, Ag20 Im

Silver (II) oxynitrate, Ag708N03 4

Silver perrhenate, AgRe04 8

Silver phosphate, Ag3P04 5 Silver selenate, Ag2Se04 2m

Silver sulfate, Ag2S04 7 Silver sulfide (argentite), Ag2S 10

Sodium acid fiuoride, NaHF2 5 Sodium borohydride, NaBH4 9

Sodium bromate, NaBr03 5 Sodium bromide, NaBr 3

Sodium carbonate monohydrate (thermonatrite), Na2C03-H20 8

Sodium chlorate, NaClOs 3

Sodium chloride (halite), NaCl 2 Sodium cyanate, NaCNO 2m

Sodium cyanide, NaCN (cubic) 1 Sodium cyanide, NaCN (orthorhombic) at

6 °C 1 Sodium fluoride (villiaumite) , NaF 1 Sodium iodate, NalOs 7 Sodium iodide, Nal 4

Sodium magnesium aluminum boron hydroxy silicate, dravite,

NaMg3Al6B3Si6027(OH)4 3m

Sodium metaperiodate, NaI04 7 Sodium molybdate, Na2Mo04 Im

Sodium nitrate (soda-niter), NaN03 6

Sodium nitrite, NaN02 --- 4

Sodium orthotungstate (VI) dihydrate,

Na2W04-2H20 2m

Sodium perchlorate, NaC104 (orthorhombic). 7 Sodium sulfate (thenardite), Na2S04 2 Sodium sulfite, Na2S03 3

Sodium tetrametaphosphate tetrahydrate,

alpha, Na4P40i2-4H20 (monoclinic) 10

Sodium tetrametaphosphate tetrahydrate,

beta, Na4P40,2-4H20 (triclinic) 2m

Sodium trimetaphosphate, Na3P309 3m

Sodium trimetaphosphate monohydrate,

NasPsOg-HjO 3m

Sodium tungstate, Na2W04 Im

Stannous fluoride, SnF2 3m

Strontium arsenate, Sr3(As04)2 2m

62
MONOGRAPH 25, SECTIONS 1, 2, AND 3^—Continued

Vol. or

sac. Page

Strontium 1: 1 borate, SrO-B203 3m 53

Strontium bromide hexahydrate, SrBr2-6H20- 4 60

' Strontium carbonate (strontianite) , SrCOa-- 3 56

Strontium chloride, SrCl2 4 40

Strontium chloride hexahydrate, SrCl2-6H20- 4 58

Strontium fluoride, SrF2 5 67

Strontium formate, Sr(CH02)2 8 55

Strontium formate dihydrate,

Sr(CH02)2-2H20 (orthorhombic) 8 56

Strontium iodide hexahydrate, Srl2-6H20— 8 58

i Strontium molybdate, SrMo04 7 50

1 Strontium nitrate, Sr(N03)2 1 80

j Strontium oxide, SrO 5 68

Strontium peroxide, Sr02 6 52

' Strontium sulfate (celestite), SrS04 2 61

Strontium sulfide, SrS 7 52

Strontium titanate, SrTiOs 3 44

Strontium tungstate, SrW04 7 53

Strontium zirconate, SrZrOs 9 51

Sulfamic acid, NH3SO3 7 54

Sulfur, S 9 54

I Tantalum, Ta 1 29

Tantalum Silicide, TaSi2 8 59

Tellurium, Te 1 26

Tellurium (IV) oxide (paratellurite) , TeOa

I (tetragonal) 7 56

1 Tellurium (IV) oxide, paratellurite, Te02

(tetragonal) 10 55

Tellurium (IV) oxide tellurite, Te02 (orthorhombic) 9 57

Terbium arsenate, TbAs04 3m 54

Thallium aluminum sulfate dodecahydrate,

T1A1(S04)2-12H20 6 53

I Thallium (I) arsenate, TI3As O4 2m 37

1 Thallium (I) bromate, TlBr03 8 60

I Thahium bromide, TlBr 7 57

Thallium (I) chlorate, TICIO3 8 61

Thallium (I) chloride, TlCl 4 51

Thallium chloroplatinate, TlaPtCls 5 70

Thallium chlorostannate, Tl2SnCl6 ' 6 54

Thallium chromate, Tl2Cr04 3m 54

Thallium chromium sulfate dodecahydrate,

TlCr(S04)2-12H20 6 55

Thallium fluosilicate, TljSiFe 6 56

Thallium gallium sulfate dodecahydrate,

TlGa(S04)2-12H20 6 57

ThaUium(I) iodate, TIIO3 8 62

Thallium (I) iodide, Til (orthorhombic) 4 53

Thallium(I) nitrate, TINO3 6 58

Thallium (III) oxide, TI2O3 2 28

Thallium(I) perchlorate, TICIO4 2m 38

Thallium (I) phosphate, TI3PO4 7 58

Thallium(III) phosphate, TIPO4 7 59

Thallium(I) sulfate, TI2SO4 6 59

ThaUium(I) thiocyanate, TlCNS 8 63

m-Monograpli 25

Vol. or

sec. Page

Thallium(I) tungstate, TI2WO4 Im 48

Thorium oxide (thorianite), Th02 1 57

Thulium arsenate, TmAs04 3m 56

Thulium sesquioxide, Tm203 9 58

Tin, alpha, Sn (cubic) 2 12

Tin, beta, Sn (tetragonal) 1 24

Tin(IV) iodide, Snl4 5 71

Tin(II) oxide, SnO 4 28

Tin (IV) oxide (cassiterite), Sn02 1 54

Tin (II) telluride, SnTe 7 61

Titanium, Ti 3 1 Titanium dioxide (anatase), Ti02 (tetragonal) 1 46

Titanium dioxide, brookite, Ti02 (orthorhombic) 3m 57

Titanium dioxide (rutile), Ti02 (tetragonal), 1 44

Titanium (III) oxide, TiOi.sis 9 59

Titanium silicide, Ti5Si3 8 64

Tungsten, W 1 28

Tungsten sulfide (tungstenite), WS2 8 65

Uranium dioxide (uraninite), UO2 2 33

Urea, CO(NH2)2 7 61

Vanadium (V) oxide, V2O5 8 66

Ytterbium gallium oxide 3 : 5, Yb3Ga2(Ga04)3- Im 49

Yttrium arsenate, YASO4 2m 39

Yttrium gallium oxide 3:5, Y3Ga2(Ga04)3--- Im 50

Yttrium, oxide, Y2O3 3 28

Yttrium oxychloride, YOCl Im 51

Yttrium phosphate (xenotime), YPO4 8 67

Zinc, Zn 1 16

Zinc aluminate (gahnite), ZnAl2 04 2 38

Zinc borate, ZnB204 1 83

Zinc carbonate smithsonite, ZnCOs 8 69

Zinc cyanide, Zn(CN)2 5 73

Zinc, fluoride, ZnF2 6 60

Zinc fluosilicate hexahydrate, ZuSiFe-eHjO. 8 70

Zinc germanate, Zn2Ge04 10 56

Zinc iodide, Znl2 9 60

Zinc orthosilicate (willemite), Zn2Si04 7 62

Zinc oxide (zincite), ZnO 2 25

Zinc pyrosilicate hydrate, hemimorphite,

Zn4(OH)2Si207-H20 2 62

Zinc selenide, ZnSe 3 23

Zinc sulfate (zinkosite), ZnS04 7 64

Zinc sulfate heptahydrate (goslarite),

ZnS04-7H20 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), ZnW04 2m 40

Zirconium, alpha, Zr 2 11 Zirconium iodate, Zr(I03)4 Im 51

Zirconium silicate zircon, ZrSi04 4 68

Zirconium sulfate tetrahydrate,

Zr(S04)2-4H20 7 66

CUMULATIVE MINERAL INDEX

Alabandite MnS

Alum, KAI(S04)2-12H20.

Ammonia-niter, NH4NO3.

Anatase, TiOj

Andradite, Ca3Fe2Si30i2-

.

Vol. or Vol. or

sec. Page sec. 4 11 Anglesite, PbS04 3

6 36 Anhydrite, CaS04. . 4

7 4 Aragonite, CaC03 3

1 46 Argentite, Ag2S- _ . _ 10

9 22 Arcanite, K2SO4 - 3

Page

67

65

53

51

62

63
CUMULATIVE MINERAL I^iDEX—Continued

Vol. or

sec. Arsenolite, AS2O3 1 Aurostibite, AuSb2 7 *Azurite, Cu3(OH)2 (603)2 10

Barite, BaS04 3

Berlinite, AIPO4 lu

*Beryl, Be3Al2 (Si 03)6 9

Bismite, (alpha) Bi203 3m

Bismoclite, BiOCl 4

Bismuthinite, BizSs 4

Bohmite, AlzOj- H2O 3

Bromellite, BeO 1 Bromyrite, AgBr 4

*Brookite, Ti02 3m

Brucite, Me(0H)2 6

Bunsenite, NiO 1 Calcite, CaCOs 2

Calomel, HgiCh 1 Cassiterite, Sn02 1 Celestite, SrSOi 2 Cerargyrite, AgCl 4

Cerianite, Ce02 1 Cerrussite, PbCOs . 2

Cervantite, SbjOi 10

Chalcocyanite, CUSO4 3m

Chloraluminite, AlCU- 6H2O 7 Chrysoberyl, BeAl204 9

Cinnabar, HgS 4

*Claudetite, AS2O3 3m

Clausthalite, PbSe 5

Cordierite, Mg2Al4Si50i8 (orthorhombic) Im

Cordierite, Mg2Al4Si50i8- (hexagonal) Im

Corundum, AI2O3 9

Cotunnite, PbCl2 2 CoveUite, CuS 4

Cristobalite, (alpha or low) Si02 (revised) 10

Cristobalite, (beta or high) Si02 1 Cryptohalite, (NH4)2SiF6 5 Cuprite, CU2O 2 Diamond, C 2 *Diaspore, A1203' H2O 3

*Dravite, NaMg3Al6B3Si6027(OH)4 3m

*Enstatite, MgSi03 6

Epsomite, MgS04- 7H2O 7 Eschynite, CeNbTiOe 3m

Ettringite, Al203-6CaO-3S03-31H20 8

Fluoroapatite, Ca5r(P04)3 3ra

Fluorite, CaFz 1 Forsterite, Mg2Si04 1 Galaxite, MnAl204 9

Galena, PbS 2 Gahnite, ZnAl204 2

Geikielite, MgTiOs 5 GersdorfBte, NiAsS Im

Goslarite, ZnS04-7H20 8

Greenockite, CdS 4

Halite, NaC;i _ . 2 *Hemimorphite, Zn4(OH)2Si207- H2O 2

Hieratite, K2SiF6 . 5 Huebnerite, MnW04 2m

Humite, 3Mg2Si04-MgF2 Im

lodyrite, Agl 8

Jacobsite, MnFe204 9

Litharge, PbO (red) 2 Lithiophosphate, Li3P04 3m

Loellingite, FeAs2 10

Magnesite, MgC03 7 Malachite, Cu2(OH)2C03 10

Manganosite, MnO 5 Marshite, Cul 4

Mascagnite, (NH4)2S04 (revised) 9

•Natural mineral,

m—Monograph 26.

Vol. or Page sec. Page 51 Massicot, PbO (yellow) 2 32

18 Matlockite, PbFCl l 75 i 30 Metacinnabar, HgS 4 21 65 *Millerite, NiS Im 37

3 Minium, Pb304 8 32

13 Molybdenite, M0S2 5 47

1

17 Molybdite, M0O3 3 30

1

54 Montroydite, HgO (revised) 9 39

23 Mullite, SAlzOs- 2Si02 3m 3' 38 Nantokite, CuCl _ 4 35

36 Niter, KNO3 3 58

:

46 Nitrobarite, Ba(N03)2 1 81 57 Norbergite, Mg2Si04' MgFs 10 39

30 Oldhamite, CaS 7 15 47 Otavite, CdCOs . 7 11 51 Oxammite, (NH4)2C204- H2O 7 51 72 *Paratellurite, Te02 10 55 54 Paratellurite, Te02 7 56' 61 Partridgeite, Mn203 9 37

44 Periclase, MgO 1 37! 56 *Phenacite, Be2Si04 8 11 56 Picrochromite, MgCr204 9 34' 8 Portlandite, Ca(0H)2 1 58

29 Powellite, CaMo04 6 22! 3 Pyrite, FeS2 5 29

10 *Quartz, Si02 (alpha or low) 3 24 17 Rammelsbergite, NiAs2 10 42 9 Retgersite, NiS04-6H20 7 36

38 Rhodochrosite, MnC03 7 32' 28 Rutile, TiOs 1 44

29 Safflorite, CoFeAs4 10 28; 3 Sal-ammoniac, NH4CI 1 59i 45 Sanmartinite, ZnW04 2m 401 13 *Scheelite, CaWOi 6 23 48 Selenolite, Se02 1 53 42 Sellaite, MgF2 4 33; 5 Senarmontite, Sb203 3 311 23 Skutterudite, C0AS3 10 21; 5 *Smithsonite, ZnCOs 8 ( 41 Soda-niter, NaN03 6 50i 47 Sphalerite, ZnS 2 16; 32 Spherocobaltite, C0CO3 10 24

30 Spinel, MgAl204 2 351 24 Stibnite, Sb2S3 5 6' 3 Stolzite, PbW04 7 241 22 Strontianite, SrCOs 3 56' 69 Struvite, MgNH4P04- 6H2O 3m 41' 83 Sylvite, KCl 1 65' 35 *Tellurite, Te02 9 57 18 Tellurobismuthite, Bi2Te3 3m 16

38 Tenorite, CuO 1 49l 43 Teschemacherite, NH4HCO3 9 5^ 35 Teschermigite, NH4A1(S04)2- I2H2O 6 3

71 Thenardite, Na2S04 2 59

15 Thermonatrite, Na2C03-H20 8 54

41 Thorianite, Th02 1 57, 62 Tiemannite, HgSe 7 3S

50 *Topaz, Al2Si04(F,0H)2 Im 4

24 Trevorite, NiFe204 10 44

30 Tungstenite, WS2 8 65

51 Uraninite, UO2 2 33; 36 Uvarovite, Ca3Cr2(Si04)3 10 IT 30 *Valentinite, Sb203 10 6

38 ViUiaumite, NaF 1

63' 34 Willemite, Zn2Si04 7 62

28 Witherite, BaC03 2 54

31 Wulfenite, PbMo04 7 2^

45 Wurtzite, ZnS 2 14 38 Xenotime, YPO4 8 67

8 Zincite, ZnO 2 25

Zinkosite, ZnS04 7 64 *Zircon, ZrSi04 4 (

64

U. S. GOVERNMENT PRINTING OFFICE : 1964 O - 728-345