NBS MONOGRAPH 25—SECTION 6

Standard X-ray Diffraction

Powder Patterns

U.S. DEPARTMENT OF COMMERCE

NATIONAL BUREAU OF STANDARDS

(

I
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UNITED STATES DEPARTMENT OF COMMERCE

C. R. Smith, Secretary

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

Standard X-ray Diffraction

Powder Patterns

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

and E. H. Evans

National Bureau of Standards Monograph 25—Section 6

Issued June 1968

For sale by the Superintendent of Documents, U.S. Government Printing Office Washington, D.C., 20402 - Price 60 cents
Library of Congress Catalog Card Number: 53-61386
Contents

Introduction

Reference Intensity Values

Standard x-ray powder patterns:

Ammonium Cobalt (II) Trichloride,

NH^CoClg 5 An.monium Nickel (II) Trichloride,

NH^ NiCla 6

Bis (o-dodecacarborane)

,

C4 o He 2 7

Cadmium Sulfate Hydrate,

3CdS04 •SHsO 8

Cadmium Sulfate Monohydrate,

CdSO^ -HsO o ...... . 10

Cesium Cobalt (II) Trichloride,

CSC0CI3 11

Cesium Nickel (ll) Trichloride,

CsNiCla 12

Cesium Strontium Trichloride,

CsSrCls 13

Chromium Iridium 3:1, Crglr 14

Chromium Rhodium 3:1, Crg Rh 15

Gold Niobium 1:3, AuNbg 16

Gold Titanium 1:3, AuTig 17

Gold Vanadium 1:3, AuVg 18

Iridium Niobium 1:3, IrNbg 19

Iridium Titanium 1:3, IrTi3 20

Iridium Vanadium 1:3, IrVj 21

Lithium Niobate, LiNb03 22

Lithium Sodium Sulfate,

LiNaS04 24

Lithium Sulfate, LigSO^ 26

Molybdenum Osmium 3:1, M03 Os 28

2-Naphthylamine, N-phenyl-,

Niobium Osmium 3:1, Nba Os 30

Niobium Platinum 3:1, Nbg Pt 31

Palladium Vanadium 1:3, PdV3 3 2 Platinum Titanium 1:3, PtTig . . . . . . 3 3 Platinum Vanadium 1:3, PtV^ 34

Potassium Cobalt (ll) Sulfate,

K3Co2(S04)3 35

Potassium Cobalt (II ) Trifluoride,

KC0F3 3 7 Potassium Copper (II) Trifluoride,

KCUF3 3 8

Potassium Iron (II) Trifluoride,

KFeFg 39

Potassium Magnesium Sulfate

(langbeinite) * KgMgs (SO4 )3 40

Potassium Magnesium Trifluoride,

KMgFa 42

Potassium Manganese (II ) Sulfate

(manganolangbeinite)

,

Kb Mng (304)3 43

Potassium Manganese (II

)

Trifluoride, KMnF3 45

Potassium Nickel (ll) Sulfate,

KsNis (SO4 )3. 46

Potassium Sodium Sulfate,

K.67Nai^ 33SO4 48

Potassium Sodium Sulfate,

KNaSO^ 50

Potassium Sodium Sulfate

(aphthitalite) , Kg Na (30^)3 52

Potassium Zinc Sulfate,

KaZng (SO4 )3 ....... 54

Rhodium Vanadium 1:3, RhVg 56

Rubidium Cobalt (II ) Trichloride,

RbCoClg 57

Rubidium Nickel (ll) Trichloride,

RbNiCla 58

Sodium Calcium Sulfate

(glauberite) , NasCa (30^)3 59

Sodium Cobalt (II) Sulfate

Tetrahydrate, Nag Co (SO^ ) g •4H2 O . . . 61

Sodium Magnesium Sulfate

Tetrahydrate, bloedite,

Na2Mg(S04 )a •4H2 0 63

Sodium Manganese (II ) Trifluoride,

NaMnFa 65

Sodium Mercury (11) Trichloride

Dihydrate, NaHgCl3-2H20 66

Sodium Nickel (II) Sulfate

Tetrahydrate, Nag Ni (SO^ ) g •4Hg O . . . 68

Sodium Oxalate, Na2C2 04 70

Sodium Zinc Sulfate Tetrahydrate,

NQ2Zn(S04 ) 2

• 4H2 O 72

Sodium Zinc Trifluoride, NaZnF3 ... 74

Strontium Indium Hydroxide,

Sr3ln2 (OH)ia 76

Strontium Scandium Oxide

Hexahydrate, Srg Scg Og • 6H3 O 78

Ytterbium Oxide, YbsO;^ 80

Calculated powder patterns (cubic)

Aluminum Nickel, AlNi 82

Gold Magnesium, AuMg 83

Mercury Magnesium, HgMg 84

Osmium Titanium, OsTi 85

Ruthenium Titanium, RuTi . . . .- 86

Silver Gadolinium, AgGd 87

Cumulative index to Circular 53 9,

Volumes 1, 2, 3, 4, 5, 6, 7, 8, 9,

10, and Monograph 25, Sections 1,

2, 3, 4, 5, and 6 89

Cumulative mineral index. ............ 97

*A mineral name in parentheses indicates a synthetic

sample.

iii
Errata

Monograph 25, Section 6

Circular 539

VoL 2, p. 32; The space group should be Pbma, from the reference: Bystrom,

Arkiv Kemi Mineral. Geol. 25A, 1-26 (1947),

Vol. 9, p. 3: The corrected hkl values are: 214(d = 1,404), 131(d = 1.1382),

042(d = 1.0175), and 2-M0(d = 0.9976).

I

Monograph 25

Sec, 1, p. 35; The space group should be P2j^3, from the reference Bokii and

Tsinober, Tr. Inst. Kristallogr. Akad. Nauk SSSR 9, 239-250 (1954),

Sec. 3, p. 5; Insert a new line of data:

242,341 1.7427 <2

Sec, 3, p, 45; Line 21 of the table should have the indices 201, 222,

Sec, 5, p. 19; The title should be CsCdClg. Also, the line at d = 1.4200 should

have the index 1'1-12.

Sec. 5, p, 20; The title should be CsCdClg.

STANDARD X-RAY DIFFRACTION POWDER PATTERNS

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

40 cents.

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

35 cents.

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

40 cents.

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

55 cents.

NBS Monograph 25, Section 5, Standard X-ray Diffraction Powder Patterns (Data for 60 substances)

55 cents.

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

additional one-fourth of the purchase price for postage.

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

Office,

iv
STANDARD X-RAY DIFFRACTION POWDER PATTERNS

Section 6.—Data for 60 substances

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

Standard x-ray diffraction powder patterns are presented for 60 substances. Fifty-four of these

patterns represent experimental data and 6 are calculated. The experimental x-ray powder dif- fraction patterns are made with a Geiger counter x-ray diffractometer, using samples of high purity. All d-values were assigned Miller indices determined by comparison with theoretical interplanar spacings and from consideration of space group extinctions. The densities and lattice constants were calculated, and the refractive indices were.measured whenever possible. The calculated x-ray powder diffraction patterns were obtained from published crystal structure data. ^ The

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

mixture are given for 98 materials.

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

INTRODUCTION

The X-ray Powder Diffraction File (1967) ^ is a compilation of diffraction patterns, gathered from

many sources and produced under the auspices of

the Joint Committee on Chemical Analysis by

Powder Diffraction Standards.^ The File is used

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

Joint Committee, a program at the National Bureau

of Standards contributes new data for this File.

Our work also aids in the evaluation and revision

of published x-ray data and in the development of

diffraction techniques. This report presents data

for 60 compounds, 54 experimental and 6 calculated patterns. This compilation is the sixteenth

of the series of "Standard X-ray Diffraction Powder

Patterns.""

Experimental Powder Patterns

Powder Diffraction File Cards. Under this

heading are given the Powder Diffraction File card

numbers and the literature reference for each card.

Cards listed through the 1966 index to the Powder

Diffraction File are included.

iResearch Associate at the National Bureau of Standards

sponsored by the Joint Committee on Powder Diffraction Standards.

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

3 This committee is sponsored jointly by the American Society for Testing and Materials, the American Crystalographic

Association, The (British) Institute of Physics, and The National Association of Corrosion Engineers. Financial support

is also provided by the National Bureau of Standards.

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

Additional published patterns. Literature refer- ences for patterns that have not been published as Powder Diffraction File 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. Treating the sample by appropriate annealing, recrystallizing, or heating in hydrothermal bombs improved the definition of most of the patterns.

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

sample was completed. The limit of detection for

the alkali elements was 0.05 weight percent for the

spectrographic analyses. A check of phase purity

was usually provided by the x-ray pattern itself,

when it was indexed by comparison with theoretical

d-values. A microscopic inspection for phase

purity was also made on the nonopaque materials

during the refractive index determination. The

latter was done by grain-immersion methods in

white light, with oils standardized in sodium light,

in the range 1.40 to 2.1.

The names of the sample colors were selected

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

Structural data. The assignment of hkl's

and the refinement of lattice constants were

obtained by using a computer program developed

by Evans, Appleman and Handwerker (1963). Cell

refinement was based only upon 20 -values which

could be indexed without ambiguity. The number of

significant figures reported for d-values varies

slightly with the symmetry and crystallinity of each

sample. Lattice constant errors are based on leastsquares refinement of the variance-covariance matrix derived from the unweighted A9 residuals.

1
Published unit cell data in kX units and data given

in angstrom units prior to 1947 were converted

to angstrom units using the factor lo00202 as rec- ommended by an international conference of crystallographers reported in J. Sci, Instr. (1947)o

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

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

(1952).

Orthorhombic cell dimensions are presented

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

System of Mineralogy, 1944).,

The densities calculated from the NBS lattice

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

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

Intensity measurements. At least three patterns

for intensity measurements were prepared to check

reproducibility. Samples that gave satisfactory

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

In order to avoid the orientation effects which

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

To prepare the sample, a glass slide was clamped

over the top face to form a temporary cavity wall

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

into the end opening while the holder was held in a vertical position. With the sample holder returned

to a horizontal position, the glass slide was carefully removed so that the sample surface could be

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

powders that did not flow readily, or were prone

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

diluent. The intensities of the diffraction lines

were measured as peak heights above background

and were expressed in percentages of the intensity

of the strongest line.

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

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

as an internal standard. When tungsten lines were

found to interfere, 25 percent silver was used in

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

interpolations were used for the regions between

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

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

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

were resolved, the a ^ peak was measured in the

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

measurement of 2e. The new internal standard

lattice constants used were 3,16504 A for tungsten

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

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

changes increase d- values by a factor of 1.00004

when compared to the d-values obtained with the

older standard samples. All of the NBS patterns,

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

(Ka^), having the wavelength 1.5405 A, A curved

lithium fluoride crystal monochromator was used

in the preparation of some patterns.

Figure 1

2

Figure 2
Calculated Powder Patterns

Since some substances are not readily available

for experimental work, calculated powder patterns

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

developed by Smith (1963).

Lorentz-polarization corrections are included.

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

without ionization were taken from table 3.3.1 A

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

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

3.3. IB, International Tables (1962b).

Intensity calculations were based upon copper

wavelength, 1,5405 A. The integrated intensities

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

from Swanson, Morris, Stinchfield, and Evans

(1962). The peak height intensities are tabulated as percentages of the peak intensity of the strongest

line. Peak height intensities from 0.1 to 0.9 were

recorded as < 1; data with peak height intensities

< 0.1 were omitted. When adjacent 25 values were

nearly equal, resolution of individual peaks in the

powder pattern would be unlikely. In that case,

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

multiple hkl's and with the sum of the intensities

of the peaks involved.

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

The authors are indebted to J. H. deGroot for

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

in performing intensity measurements.

REFERENCES

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

crystalline powders, J. Appl. Phys. 19, No. 8, 742-753. Dana's System of Mineralogy (1944). I, 6 (John Wiley & Sons,

New York, 7th ed.). Evans, H. T. Jr., Appleman, D. E., and Handwerker, D. S. (1963). The least-squares refinement of crystal unit cells with powder diffraction data by an automatic computer indexing method, (abs.) Am. Crystal. Assoc. Annual Meeting, Cambridge, Mass. Program 42-43. Index to the X-ray Powder Diffraction File (1965). American

Society for Testing and Materials, 1916 Race Street, Philadelphia, Pa. 19103. International Tables for X-ray Crystallography, I (1952).

(The Kynoch Press, Birmingham, England).

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

Ibid. (1962b). HI 210-212. _

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

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

obtained from the Office of Standard Reference Materials,

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

of California, Lawrence Radiation Laboratory, Livermore, California.

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

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

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

J. Sci. Instr. 24, 27.

REFERENCE INTENSITY VALUES

The format of the first Powder Diffraction Cards

issued by the Joint Committee had a space for a reference intensity in which NaCl was used. However this original attempt to establish absolute

values started by the Dow Chemical Co. was not

continued.

In 1961 de Wolff in Holland proposed that a

variation of this idea be reconsidered as a help in

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

several reference materials were examined in both

Delft and NBS labs, aAl 203 was chosen as an internal standard to be mixed 1:1 by weight. Corundum was picked partly because of its chemical stability and freedom from shape orientation in sample

preparation and partly because of its availability

in approximately one micron particle size (Linde

"A", Union Carbide Corp., East Chicago, Ind.).

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

to run only the portion of the x-ray pattern that includes the strongest line of each compound7 corun- dum (113) , d= 2.085 A, was used. The direct ratio

of the heights of the two lines is then reported as

I/I corundum • In a few instances the strongest line

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

other. In this case the second strongest line is

measured, and based uponprevious knowledge of the

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

line.

In this report we are listing 38 I/Ieon.ndu„,

values for some samples we have worked with in

the past. Data reported from July 1965 has the

I/I corundum value included in the text for each

compound. We expect to continue measuring this

value for new data submitted to the Powder Diffraction File.

3
corundum Values for Some Previously Reported Powder Patterns

Ammonium Bromide, NH4 Br (cubic) 6.0

Ammonium Chloride, NH4CI (cubic) 5.8

Ammonium Iodide, NH4 1 (cubic) 6.1

Ammonium Nitrate, NH^ NO3 (orthorhombic) 1.5

Ammonium Sulfate, (NH4)gS04 (orthorhomibc) 1.8

Barium Carbonate, BaCOg (orthorhombic) 4.2

Barium Sulfate, BaS04 (orthorhombic) 2.6

Cadmium, Cd (hexagonal) 2.0

Cadmium Carbonate, CdCOg (trigonal) 4.7

Cadmium Chloride, CdClg (trigonal) 4.2

Cadmium Oxide, CdO (cubic) 8.6

Calcium Fluoride, CaFs (cubic) 2.4

Cesium Bromide, CsBr (cubic) 8.7

Chromium Oxide, CrsOg (trigonal) 1.8

Copper Chloride, CuCl (cubic) 2.0

Copper Carbonate, basic, Cus(0H)2C03 (monoclinic) 0.6

Copper Oxide, CuO (monoclinic) 1.9

Iron Oxide, alpha, FegOg (trigonal) 2.6

Lead Bromide, PbBrg (orthorhombic) 2.1

Lead Fluoride, alpha, PbFg (orthorhombic) 4.2

Lead Iodide, Pbig (trigonal) 4.2

Lead Oxide, yellow, PbO (orthorhombic) 6.6

Lead Sulfate, PbS04 (orthorhombic) 3.5

Lithium Fluoride, LiF (cubic) 1.3

Magnesium Oxide, MgO (cubic) 2.4

Magnesium Fluoride, MgFg (tetragonal)

.

. 0.4

Molybdenum Oxide, M0O3 (orthorhombic) 3.0

Potassium Bromide, KBr (cubic) 5.5

Potassium Chloride, KCl (cubic) 3.9

Potassium Iodide, KI (cubic) 4.2

Potassium Nitrate, KNO3 (orthorhombic) 1.4

Silver Bromide, AgBr (cubic) 5.6

Silver Oxide, AggO (cubic) 5.6

Sodium Chloride, NaCl (cubic) 3.8

Sodium Sulfate, Na^ SO4 (orthorhombic) 1.5

Strontium Nitrate, SrNOg (cubic) 3.2

Strontium Sulfate, SrS04 (orthorhombic) 1.8

Zinc Oxide, ZnO (hexagonal) 4.5

4
Ammonium Cobalt(ll) Trichloride, NH^CoClg (hexagonal)

Sample source The sample was prepared at NBS by heating co-precipitated NH4CI and CoClg to

about 500"C in a sealed glass tube. The

material readily hydrates in moist air.

Major impurities

0.001-0.01% each: Al,Ca,Cu,and V.

0.01 -0.1 % each: Fe,Ni,Si,and W.

Color

Light blue

Optical data

Uniaxial (+) , Ne=1.765, No=1.680.

Structure

Isostructural with RbCoClg.

Space group

dJ h -P63 /mmc (194) , Z=2 By comparison of

the powder pattern with that of RbCoCla .

Lattice constants

a (A) C(A)

NBS, sample at 25"C 6.967 6.010

+ .001 ±.001

Density

(calculated) 2.410 g/cm^ at 25° C.

Reference intensity

I/I , = 2.4

Internal standard W, a = 3.16504 A

CuKti k = 1.5405 A; temp. 25 °C

d (A) 7

6 . 04 100 xuu

4. 255 3 101 20.86

3.482 8 110 25. 56

7 UUz

^ • u ^ u Jo . zu

^ . ^ 0 J. xo1 R •3 Q An

2.276 14 112 39.57

2. 129 7 211, 202 42.41

9 on J

•a nnuu 43c

. noU

J- . 7 V 0 < 1 0 n 1 1 n "3 /I "7

X . 0 J. / c z 12 cn 1 c 5U . ±5

1.742 13 220 52.48

1.673 9 310,302 54.84

71 1 n '3 zU J 04 . yb

^ X oil oil c -7 no

1 S08 3 4tUU /inn 000 , z z z Dl1 y1 /I

. 44

1.502 4 004 61. 69

1.4625 4 401, 312 63.56

J- . 'T ^ 0 J- 3 ±U4 £^ "3 "7 0

•3 "3 0 n J z U 0 / , ol

X1 . 0T4ftR H 00 o 3 2 i , 4Uz by . b5

1.3449 2 204 69.88

1.3164 <1 410 71.62

1.2550 <1 214 75.72

2 304 79. 57

1. 1391 1 323 85.09

1. 1377 2 224 85.22

1.0834 1 510, 332 90.63

1.0662 2 511,422 92.51

1.0183 <1 324 98.30

1.0056 <1 600 99. 99

5
Ammonium Nickel (II) Trichloride, NH^NiClj (hexagonal)

Sample source The sample was made at NBS by heating

NiCla and NH^Cl together at 300°C for 72

hours in a sealed glass tube. The NiCla

had been obtained by dehydrating NiCl,

2H3O in a stream of dry HCl at 150°C.

NH^NiClg is hygroscopic.

Major impurities

0.001-0.01% each: Fe

0.01 -0.1 % each: Cu

Color

Pale orange yellow.

Optical data

Uniaxial (+) No=lo720, Ne=1.89 Pleochroism with the stronger absorption perpendicular to c^.

Structure

Isostructural with RbCoCla and other

similar ABX3 compounds.

Space group

Dln-PGa/mmc (194) Z=2. By comparison of

the powder pattern with that of RbCoClg .

Lattice constants

a(A) C(A)

NBS, sample at 25° C 6.9216 5.915

±.0004 ±.001

Density

(calculated) 2.478 g/cm^ at 25° C.

Reference intensity

I/I , = 3.7

0 Internal standard W, a = 3.16504 A

CuKtti k = 1.5405 A; temp. 25 °C

0 a (A) / 26(°)

c: QQ 1 nn 1 on 14 80

4.211 6 101 21.08

3.459 9 110 25.73

0 Q QQ z z ^ 9Q 77

0 Q c;7 0 ww ^ ?0 . 90

z * 0 / 0 201 33 .47

2.266 8 210 39.74

2.249 11 112 40.05

X1 7/ zw z 42 . 94

X . ^ ^ 0 9 300 45 .34

1X X 47 . 98

1.799 5 212 50.70

1.731 10 220 52.84

7 JT X\J 1 0 55. 19

7 JT 09w ^ 55 .44

X • bU X X 0 XX ^7 1 1.4931 3 222 62.11

1.4790 2 004 62.77

1 >1 C 0 "7 i . 4o2

/

z AO 1 fiA OA

X . 44y

•3 J

"5 XZ19 fiA 90

X .4j b

J

1 OA fiA <9

1.3753 2 320 68.12

1.3366 1 402 70.38

1 0 r\ Q

i, JUox 1X *i- XU 79 15

X, A 1 1 'i X Al 1 'T X X 74 . 17

1 . 1961 z AT 9 RO 1 R 1.1933 2 403 80.40

1.1752 1 501 81.90

1.1239 2 224 86.52

1.1124 2 421 87.64

1.0763 1 510 91.39

1,0745 1 332 91,59

1.0578 1 422 93.46

6
Bis (o-dodecacarborane), C^BggHgg (monoclinic)

Sample source The sample was obtained from Rohm and

Haas Chemical Division of the Redstone

Arsenal, Huntsville, Alabama .Treating the

sample by the usual methods failed to

improve the quality of the pattern.

Color

Colorless

Optical data

Biaxial (-) ,Na=l . 646/ Ng =1. 681, Ny=1.683

2V is small.

Structure

Determined by Hall et al.[1965].

Space group

c|h-P2i/n (14), Z=2 [Hall et al., 1965]

Lattice constants

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

Hall

et al

[1965]- 7.014 9.862 12.360 90°31'

±.001 ±.001 ±.002 ±2'

NBS,

sample

at

25°C— 7.016 9.867 12.376 90°29 ' ±.002 ±.003 ±.004 ±2'

Density

(calculated) i.iio g/cm^ at 25° C.

Reference intensity

^/^ corundum = ^'^ (based upon double peak

012, 111)

References

Hall,L.H. ,A.Perloff ,F.A.Mauer,and S. Block,

(1965) . Crystal and molecular structure

of C4.B3oHs2, Bis (o-dodecacarborane), J.

Chem. Phys. 43, No. 11, 3911-3917.

Internal standard W, a = 3.16504 A

CuKtti \ = 1.5405 A; temp. 25 °C

d(A)

7.71

6.12

6.08

5.72

5.23

5.19

4.94

4.58

3.85

3.810

3.509

3.177

2.981

2.925

2.900

2.861

2.788

2.730

2.622

2.571

2.449

2.418

2.398

2.356

2.340

2.310

2.286

2.278

2.253

2.239

2.212

2.176

2.151

2.141

2.117

2.085

2.042

2.029

71

}30{

36

jlOO

8

13

21

1

11

2

21

11

1

3

1

1

2

21

2

2

2

1

<1

1

1

<1

<1

<1

<1

<1

<1

hkl

Oil

101

101

110

012

111

020

021

022, 121

013

200

031

130

212

032, 131

220

221

114

024

033, 213

124

041, 133

230,015

231,223

223, 105

204

141, 141

115,310

034

232,311

025

142

134

134,312

043, 125

321

303

143,303

26(0)

11.47

14.46

14.56

15.49

16.93

17.08

17.95

19.36

23.08

23.33

25.36

28.06

29.95

30.54

30.80

31.24

32.08

32.78

34.17

34.86

3 6.66

37.15

37.48

38.16

38.43

38.95

39.38

39.52

39.98

40.24

40.76

41.47

41.96

42.17

42.68

43.37

44.31

44.63

7
Cadmium Sulfate Hydrate, SCdSO^-SH^O (mondclinic)

Sample source The sample was obtained from Johnson,

Mathey & Co. Ltd. High humidity is necessary to prevent formation of the monohydrate.

Major impurities

None over 0,001%.

Color

Colorless

Optical data

Biaxial (-) 2V, large. N(j=l. 552,Ng=l . 561,

NY=1.569.

Structure

Determined by Lipson [1936].

Space group

C|h-C2/c(15) ,Z=4,Egartner et al,[1932].

Additional patterns

1. PDF card 12-0458 [Inst . Physics, Cardiff]

2. PDF card 13-0525 [Shrier]

Density

(calculated) 3.090 g/cm^ at 25° C.

Reference intensity

, = 1.0 corundum

References

Egartner,L„, F„Halla and fi.Schwarz (1932).

Das Raumgitter des Cadmiumsulfats,CdS04

8/3H80, Z. Krist. 83,422-425,

Lipson,Ho (1936) . The crystal structure of

3CdS04«8HgO, Proc. Roy, Soc, (London) Ser.A

156, 462-470.

o Internal standard Ag, a = 4.08625 A

CuKai ^= 1.5405 A; temp. 25 °C

o d (A) / hkl

1JL RO w w X1 9z • 09vj z 6.88 100 111 12.86

6.34 65 111 13.96

70 090 XH- .

J. X 09l W Z X X / . OD

on 9 1XOn . QO

4.621 16 220 19.19

4.525 48 310 19.60

A T 9 Q ^x 119 ZU90 * RO

A 9 m AC\ 9 9 1 "5 11 Z Z X J X X ZU90 . 71/ J

A 91"^ 7 9z 0u Z9 Z9 X1 • 07u / 4.057 15 112 21.89

4.021 35 221 22.09

90 9 9 ? 7A

Q 099 9/1 ] R

J . O / z 7 AOO 9A 9 9

3 .590 88 131 24.78

3,505 37 131 25.39

J . / 7 J^lX z9 9 R fi7 X1 Q7 9 9 9 9 S Q9

o • X :? 9£. 9£m 9£m 9R 1 ? 3 .125 23 420 28.54

3 ,090 53 402 28.87

3 .066 13 421 29.10

3 .000 45 331 29.75

2.974 13 040 30.02

2.919 4 132 30.60

2.894 45 113 30.87

2.851 5 510 31.35

2.827 10 511 31.62

-continued

I/I

Lattice constants

Egartner,* et al. [1932]

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

14.98

14.78

14.808

±,001

11,65

11.87

11.902

±.001

9.44

9,44

9.468

±.001

98°

97,31°

97°22

±1'

*Values as published

8
Cadmium Sulfate Hydrate, 3CdSO.-8H 0 (monoclinic) - continued

d(A) I hkl 2e(°)

2.757 26 240 32.45

2.743 24 422 3 2.62

2.729 23 313,402 32.79

2.696 5 223 33 .20

2.680 3 241,33 2 33 .41

2.641 8 511 33 .92

2.614 16 241 34.27

2.585 3 512 34.67

2.514 10 042 35 .69

2.480 6 422 36.19

2.465 2 133 36.41

2.447 2 600 36.69

2.429 10 242 3 6.97

2.385 23 133 37.69

2.349 23 150,004 38.29

2.329 15 242 38.63

2.325 16 204 38.70

2.313 20 512,440 38.91

2.289 14 151,333 39.32

2.263 26 620,621 3 9.80

2.234 23 531,114 40.33

2.202 3 441,53 2 40.95

2.194 4 314 41.11

2.185 4 024 41.29

2.165 7 224 41.69

2.140 14 622,350 42.19

2.120 15 243,152 42.60

2.099 23 423 43.05

2.084 3 152 43 .38

2.065 3 710,602 43 .80

1.985 63 712,533,+ 45.67

1.947 4 623 46.60

1.93 5 7 443,514 46.91

1.889 16 641,261,+ 48.12

1.871 2 404, Il5 48.62

1.860 6 153,731 48.92

1.843 4 044,551 49.41

1.835 7 800,713 49.63

1.828 8 062 49.85

1.813 13 315,115 50.29

1.791 14 443,225 50.94

1.763 3 821 51.80

1.753 6 820,262 52.13

1.747 13 244 52.33

1.734 2 461 52.76

d (A) I hkl 20(0)

1.7178 6 444 53 .28

1.6958 9 461, 642 54.03

1.6874 7 821 54.3 2 1.6774 3 l54 54.67

1.6695 5 462 54.95

1.6642 13 335,135 55.14

1.6578 14 714,171 55.37

1.6404 1 802 56.01

1.6281 4 911,354 56.47

1,6168 9 823,910 56.90

1,6055 5 370 57.34

1.5968 6 172 57.68

1.5948 7 604,371 57.76

1,5883 2 245,045 58.02

1.5838 1 534,444 58.20

1.5766 1 751 58.49

1.5642 2 006, Il6 59.00

1,5489 7 335,644,+ 59.64

1.5452 7 804 59,80

1.5382 13 553,625,+ 60.10

1.5210 9 733 60.85

1.5178 7 931,913,+ 60.99

1.5109 5 406 61.30

1.5008 1 662,372,+ 61.76

1.4964 1 824, 173 61.96

1.4918 2 206 62.17

1,4818 2 155 62.64

1.4777 2 173 62.83

1,4681 2 10-0'0,571 63 .29

1,4644 4 426,753 63 .47

1.4543 5 373 63 .96

1,4505 4 752,516 64.15

1.4473 3 226 64.31

1.4437 3 464,336 64.49

1,4399 2 571 64.68

1.4363 2 10 "2 '1,842 64.86

1.4324 1 136 65.06

1.4304 1 572, 662 65 . 16

1,4273 2 316, 933 65.32

1.4182 2 914,082 65 .79

1,4146 2 10 • 2 • 2 65.98

1,4054 3 644,373 66.47

1.4026 5 282,606 66,62

1,3899 2 246,932 67 .31

1,3790 1 572,480 67 .91

9
Cadmium Sulfate Monohydrate, CdS04-H20 (monoclinic)

Sample soiirce

The sample was crystallized at NBS from

an aqueous solution at 95° C. The starting material (3CaS04 • SHs 0) was obtained

from Johnson, Matthey & Co., Ltd.

CdSO^ 'HsO is also obtained from CdS04 or SCdSO^'SHsO with prolonged exposure to

air of about 50% relative humidity.

Major impurities

none over 0.001%.

Color

Colorless

Optical data

Biaxial(-) Na=1.582, Np=1.624, Ny=1.642,

2V is medium large.

Space group

c|h-P2i/n (14), Z=4 [Perloff, 1958].

Lattice constants

a(A) b(A) C(A) ^(°)

Perloff

115''30' [1968] — 7.64 7.46 7.62

NBS

,

sample

at 25 "C- 7.632 7.459 7.622 115°26'

±.002 ±.002 ±.001 ±1'

Density

(calculated) 3.839 g/cm' at 25° C.

Reference intensity

I/I , - 2.2 ' corundum ~

References

Perloff, A. [1968]

Private communication

Internal standard W, a = 3.16504 A

CuKai \ = 1.5405 A; temp. 25 °C

o a (A) I 26(°)

TmXL/ X xo • 0^

5.066 12 110,011 17.49

4.881 65 111 18.16

A 07 ^ XU X Z91X • 7Q/ 7

J • / 7A u zu ZJ . Oft

J • D / 4i- xuu 1 on XXX 111 9A PQ

3.448 8 200,002 25.82

3.388 6 211, 112 26.28

"3 O 7 Q i.1 11 170 O 7

XZ U f U Z X Z77/ • X1 7/

J • Z Z O Af, Tot XZ X / 707 ZL/ Z 77z f^'^ / * 0 J

IJ 7 1 O O 1 7 z xu , u xz 7 P 1 Z 0 • D X 2o961 4 212 30.16

2.753 3 121 32.50

Z a OO J D 7Z Z7 X7 T7 7 f xz z J J . 0 J Z o D J X J O zzu 770 ^01 4-

/ jWX|"r ? R AA

c 711 Z X X 117 f X X ^ 2.440 9 222 36.81

2.397 28 311,113 37.49

Z0 • J J-^ T Q 1 XJ X ? ft 7Q

Z • J- o o z Z ^ X , X Z 4^ A1 fi7

z9 J J A1

2.122 11 131 42.56

2.091 6 123 43.23

z • u oo J xo 41 79

Z • U J O

C zu9(19z AA**** • AO*T ^

z • U xD Z 9 ?n m

AA QA

1.964 4 212 46.17

1.943 3 301,103 46.72

/i ft An9 9nA A7 7Q

1 Q7Q 7 JTilX X 1 1 , X X ^ AR AO

X « OOJ 1 nAD ^9T AR RA

1.842 5 412,214 49.44

1.814 2 411, 132,+ 50.24

X . / C3 /

ir Z7 7Z Z7 SI 07

n "7 ^7 o •7 J^7J X1 T7 , X J J D X 0 O J

iU yl f\n 1 0 7 _L. 4t-UU , XZ J / -r D J . X J 1.693 9 422,224,+ 54.12

1.676 4 014 54.7 2 1.639 12 240,042 56.07

1.625 4 33 3 56.58

1.612 3 404 57.10

1.575 3 414,232 58.54

1.563 4 420,024 59.06

1.530 3 331,133 60.45

1.510 3 432,234 61.35

10
Cesium Cobalt(ll) Trichloride, CSC0CI3 (hexagonal)

Sample source The sample was prepared at NBS by heating co-precipitated CsCl and CoCls to

about 500 °C in a sealed glass tube.

Major impurities

0.01 -0.1 % each: K, Na, Rb, and Si.

0.1 -1.0 % each: Ni.

Color

Unground - dark blue.

Ground - very light blue

C^tical data

Uniaxial (+) N =1.696, N =1.772

o e

Structure

Isostructural with RbCoClg [Selfert, 1960]

and other similar ABXg compounds.

Space group

D|h-P6g/mmc (194) Z=2 by analogy with

RbCoCl, .

Lattice constants

Seifert (1960)

NBS, sample at 25 °C

a(A) C(A)

7.194

7.203

±.001

6.033

6.032

±.002

Density

(calculated) 3.654 g/cm^ at 25° C.

Reference intensity

I/I' , =3.8 corundum

References

Seifert, H.J. (I960) , Uber die Systeme Alkalimetallchlorid/kobalt (II) - chlorid. Z.

Anorg. Allgem. Chem. 307, 137-144.

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 °C

d (A) 7 hkl 2e(°)

9 100 14X'X • X15_J 4.337 55 101 20.46

3.607 60 110 24.66

J . X ^ ^ q 9nn ^ »J VJ 9 R R 7

J . W J_ o 9 1 nn9 9Q R 7

1 on ^901X T 9 9 2. 714 24 102 32.97

2.360 1 210 38.10

9 T 1 9 1X 119 TR Q9

9 1 Q R 211 41 OR

^9 . J-1 fiR u o 31 202 41 62

2.080 14 300 43.47

1.966 2 301 46.12

1 . 914 103 X J 47 .47

1 R5R 16 ^919X 4.fl QR

1 . 800 20 220 50 fifi 1.729 <1 310 52.90

1.712 <1 302 53 .47

X . D -7W X1 ^9 ^ VJ J R4 94

X . OOJ oo OTilX X ^R ^R . X17/

X « Q 37 1X Ann RQ 9n

1.546 9 222 59.78

1.530 1 213 60.46

J- » D J-\J fil T4

J- 9 DKJ A. 7 J X ^ o X1 . 7/ JR

J. • rr J -L X J ^ fiR O . X414

1.392 9 321, 114 67.20

1.3857 4 402 67 .54

J- . J ouy CD A xu1 n DO • ^ft

V. J. AllX X

1X OTITX J / X . ^ X 1.2933 1 322 73.11

1. 2321 1 403 77.37

1 9 9 1

'5 X . Z Z X O <- X Rni Tnii 7H 90

T 9nn A <^ X JT JT nu 7Q/ 7 . RlOX

1 . 1659 1 3 23 82 . 70

1.1570 10 421, 224 83 .48

1.1530 <1 502 83 .83

1.1254 1 205 86.38

1.1016 1 511 88. 73

1.0982 3 422 89.07

1.0505 2 512 94.32

1.0397 4 600 95.61

1.0171 3 423 98.45

1.0111 3 431 99.25

11
Cesium Nickel (II) Trichloride, CsNiClj (hexagonal)

Sample source The sample was prepared at NBS by heating co-precipitated CsCl and NiClg at a- bout 500 °C in a sealed glass tube. The

material was hygroscopic.

Major impurities

0.01 -0.1 % each:Al,Rb,Si,and Sn.

0.1 -1.0 % each:K and Na.

Color

Unground - medium reddish brown.

Ground - medium orange.

Optical data

Uniaxial (+) , N =1.711, N =1.812.

o e

Structure

Isostructural with RbCoClg [Seifert, 1960]

Also isostructural with other similar

ABXs compounds

Space group

Ds^h-Peg/mmc (194), 2=2 [Tishchenko, 1955] .

Lattice constants

a(A) C(A)

Tishchenko [1955] 7.18 5.93

Asmussen and Soling

7. 1695 11.87

NBS, sample at 25"C 7.1700 5.941

±.0003 ±.001

Density

(calculated) 3 .741 g/cm^ at 25° C.

Reference intensity

^ corunduin —4.0

References

Allamangy,P. (1960) . Syntheses de fluorures

de deux metaux par reactions entre le

gaz HF et des chlorures cristallise's.

Bull. Soc. Chim. France 1960,1099.

Asmussen, P. and H. Soling, (1956) .Magneto

chemische Untersuchungen an Nickel (ll)

Verbindungen vom Typus Me (l) -Hal,Ni (II )

Halg , Z. Anorg. Allgem. Chem. 283,1.

Tishchenko, G.N. (1955). Electron diffraction investigation of the structure of

CsNiClg , Tr .Inst.Kristallogr . , Akad.Nauk

SSSR 1955, 93.

Internal standard Ag, a = 4.08625 A

CuKai ^ = 1.5405 A; temp. 25 °C

o d(A) I hkl 29(0)

6.22 9 100 14. 23

4.291 58 101 20.68

3.584 66 110 24.82

3 . 103 8 200 28.75

2 . 969 19 002 30.07

2.752 100 201 32.51

2.680 18 102 33.41

2.347 <1 210 38.31

2 . 287 1 112 39.36

2 . 183 12 211 41.32

2 . 147 29 202 42.05

2.070 11 300 43.68

1.955 1 301 46.40

1 . 8867 5 103 48. 19

1 . 84 113 212 49.45

1. 7924 20 220 50 . 90

1.7222 <2 310 53.13

1.6982 2 302 53.95

1. 6692 9 203 54. 96

1. 6543 6 311 55. 50

1.5525 1 400 59 .49

1.5347 5 222 60.25

1.5134 3 213 61.19

1. 5021 8 401 61.70

1.4903 4 312 62 . 24

1.4244 <2 320 65.47

1.3857 4 321 67.54

1.3755 5 402 68.11

1. 3551 3 410 69 . 28

1.3214 <3 411 71.31

1. 2992 <3 313 72.72

1.2847 <3 322 73.67

1.2218 3 403 78.16

1. 2066 <3 304 79.34

1.1953 <3 330 80.24

1.1512 4 421 83.99

1.1438 4 224 84.66

1.0958 <3 511 89.32

1.0915 3 422 89.77

1.0441 <3 512 95.08

1.0347 <3 600 96. 22

1.0093 3 423 99.48

Additional patterns

PDF card 16-0109 [Allamangy, 1960]
Cesium Strontium Trichloride, CsSrCig (tetragonal)

Sample source The sample was prepared at NBS by melting a mixture of molar amounts of CsCl

and SrCla at about 900 °C. The material

was hygroscopic.

Major impurities

0.001-0.01% each:Ba,Ca,Fe,Li,Mg,Ni,and Si

0.01 -O.i % each: Al,Na, and Rb

0.1 -1.0 % each:K

Color

Colorless

Optical data

Almost isotropic, N2:l,572. The crystals

showed polysynthetic twinning.

Structure

Tetragonal distorted perovskite. Isostructural with CsPbClg

Space group

C4v-P4mm (99) Z=l, by analogy with the

CsPbCla powder pattern.

Lattice constants

a(A) c(A)

NBS, sample at 25 °C 5.593 5.628

±0.001 ±0,001

Density

(calculated) 3.083 g/cm^ at 25° C.

Reference intensity

I/I , - 3.4

o Internal standard W, a = 3.16504 A

CuKaj \ = 1.5405 A; temp. 25 C

0 a (A) r1 UKI

3.96 100 101, IIU 22.42

3.237 27 111 27 . 53

2.813 38 002 31.78

2.796 52 o r\ r\ 31.98

2 . 287 51 oil 1 1 o 2X1, 112 39.37

1.984 28 o r\ 1 45.68

1.978 23 220 45 . 83

1.779 8 103 51.32

1.769 11 jUl , J lU 51.62

1. 618 8

o o o 56.86

1.501 10 21

61.75

1.497 12 312,321 61. 93

1.407 3 004 66.36

1.398 5 4UU 66.88

1.357 <2 4U1 , 41U+ 69.16

1.3253 4 114 71.07

1.3219 7 303 71.28

1.3180 8 411,330 71.52

1.2566 2 204 75.61

1. 2519 <2 402, 420 75.94

1.2213 <2 421 78. 20

1.1957 3 323 80.21

1.1940 2 332 80.3 5 1.1464 <2 224 84.42

1.1429 3 422 84.74

1.1035 <2 105 88.53

1.1011 <2 314,413 88.78

1.0970 3 431, 510 89.20

13
Chromium Iridium 3:1, Crjir (cubic)

Sample source Sample was prepared by R. M. Waterstrat

at NBS by arc-melting.

Major impurities

0.001-0.01% each:Au, Cu, Pd, and V.

0.01 -0.1 % each:Fe, Pb, Pt, and Rh.

Color

Metallic dark grey. Opaque.

Structure

A-15 "0-W"type TKnapton, 1958-9]

Space group

0?-Pm3n (223), Z=2 TKnapton, 1958-9] .

Lattice constants

a(A)

Knapton, [1958-.9] 4.682

NBS , sample at 25°C 4.6810

+.0001

Density

(calculated) 11.273 g/cm^ at 25° C.

Reference intensity

_2.

corundum

Internal standard W, a = 3.16504 A

CuKai \ = 1.5405 A; temp. 25

d(A) / hkl BBC)

3.309 78 110 26.92

2.3404 54 200 38.43

2.0937 37 210 43.17

1,9106 100 211 47 . 55

1.6554 10 220 55.46

1.4805 12 310 62.70

1.2978 5 320 72.81

1.2506 44 321 76.03

1.1700 9 400 82.35

1.1031 7 411 88.58

1.0466 11 420 94.77

1.0216 4 4<i 1 97.87

0.9979 11 332 101.04

.9556 4 422 107 .42

.9180 9 510 114.08

.8693 4 520 124.77

.8546 14 521 128.65

.8275 7 440 137.14

.8028 6 530 147.25

References

Knapton, A. G, (1958-9). An X-ray survey of

certain transition - metal systems for

I/I sigma phases, J. Inst. Metals 87, 28-32.

14
Chromium Rhodium 3:1, CfjRh (cubic)

Sample source The sample was prepared at NBS by R. M.

Waterstrat by arc-melting and it was annealed at 1200 °C for three days.

Major impurities

0.001-0.01% each: Au, Cu, Ni, Pb, and Sn.

0.01 -0.1 % each: Fe, Ir, Pt, and V.

Color

Metallic dark grey and opaque.

Structure

A15 type " 3 -W" [Greenfield and Beck, 1956].

Space group

0?-Pm3n (223), Z=2 [ibid.].

Lattice constants

a(A)

Greenfield and Beck, [1956] 4.656

NBS, sample at 25 °C 4.6731

±.0001

Density

(calculated) 8.425 g/cm^ at 25° C•

Reference intensity

I/I' , = 1.4 corundum

Internal standard W, a = 3.16504 A

CuKa, K = 1.5405 A; temp. 25 °C

o d(A) / hkl 26(0)

3.304 23 110 26.96

2.337 57 200 38.49

2 .090 82 210 43 .25

1 . 909 100 211 47.60

1.652 4 220 55.60

1.4775 4 310 62. QA

1.3491 3 222 69.63

1.2960 17 320 72.93

1 . 2489 38 321 76. 16

1 . 1683 13 400 82 .49

1 . 1016 <1 411 88. 73

1.0450 10 420 94.97

1.0197 10 421 98.11

0.9963 9 332 101.27

.9538 <1 422 107.72

.9166 <1 510 114.36

.8677 11 520 125.16

.8532 14 521 129.05

.8261 10 440 137.62

.8015 530 147.88

Additional patterns

I.Greenfield and Beck [1956]

References

Greenfield, P. and P. A. Beck (1956). Intermediate phases in binary systems of certain transition elements. Trans. AIME

206, 265-276.

15
Gold Niobium 1:3, AuNbj (cubic)

Sample sotirce

The sample was prepared at NBS by R. M.

Waterstrat by arc-melting and it was an- nealed at 800 °C for one hour.

Major impurities

0.001-0.01% each:Cu,Ir,Mo,Os,Pd,Rh,Si,V.

0.01 -0.1 %each:Cr and Fe.

0.1 -1.0 % each:Pt.

Color

Metallic dark grey and opaque.

Structure

A15 type "0-W" [Wood and Matthias, 1956]

Space group

Oi-Pm3n (223), Z=2 [ibid.]

Lattice constants

Wood and Matthias [1956]-

NBS, sample at 25 °C

a(A)

5.21

5.2024

±0.0001

Internal standard W, a = 3.16504 A

CuKai \ = 1.5405 A; temp. 25 °C

o ^ /A \ a (A) I 29(°)

J . O / O Tin Z4 • Xo

2.601 50 200 34.45

2.327 73 210 38.66

O IOC ±UU oil 4z * DX

1 aA n ± • o4U 40 0 n

cD

a 1 n J xU D D • oZ

1.5021 2 222 61.70

1.4429 12 320 64.53

1 Q on Q A ri -

"3 01 J Z X 0 / • z 0

1 0 Ann 7 0 (^A / Z • D4

X1 • 0z z0 A9oz .J ft XX / / • 00

1.1632 9 420 82.93

1.1355 9 421 85.43

i. iU93 / 0 / . yo

1 neon 1 . UbzU yl O 0

1.0202 2 510 98.05

0.9661 7 520 105.74

.9499 10 521 108.37

.9197 6 440 113.75

.8921 <1 530 119.40

.8670 5 600 125.36

.8552 3 610 128.48

.8438 12 611 131.80

Density

(calculated) 11.219 g/cm^ at 25° C.

Reference intensity

Additional patterns

l.PDF card 11-19 [Wood and Matthias, 1956]

References

Wood,E. A. and B. T. Matthias (1956). The

crystal structure of NbgAu and V3Au,Acta

Cryst. 9, 534.

16
Gold Titanium 1:3, AuTij (cubic)

Sample source The sample was prepared at NBS by R. M.

Waterstrat by arc-melting and it was annealed at 800 °C for one hour.

Major impurities

0.001-0.01% each:Al,Cu, In, Ni,Rh, and Si.

0.01 -0.1 %each:Fe, Pd, and Pt.

0.1 -1.0 % each:v

Color

Metallic dark grey and opaque.

Structure

A15 type "g-W" [Duwez and Jordan, 1952]

Space group

Ot-Pm3n (223), Z=2 [ibid.]

!

I

I Lattice constants

a(A)

Duwez and Jordan [1952] 5.096

NBS, sample at 2 5 °C 5.0974

+0.0001

Density

(calculated) 8.542 g/cm^ at 25' C.

Reference intensity

I VI H =3.1 I ' corundum

o Internal standard Ag, a = 4.08625 A

CuKaj ^ = 1.5405 A; temp. 25 °C

o d (A) / hkl 26(°)

3 . 604 90 110 24 . 68

2.549 47 200 35.18

2.281 26 210 39.48

2.082 100 211 43 .43

1.802 12 220 50 . 62

1. 6117 16 310 57 . i-V 1.4710 <1 222 63.15

1.4135 4 320 66.04

1 .3625 43 111 321 DO . o5

1.2746 8 400 74.36

1 . 2015 8 41±

1.1397 11 420 85.04

1.1123 4 421 87.65

1.0870 9 332 cir\ ^ A yU . 24

1.0406 3 422 95 . 5U

0,9997 9 510 100 . 80

.9465 3 520 108.93

.9307 11 521 111.71

.9011 6 440 117.47

.8742 5 530 123.54

.8496 8 600 130.09

.8380 1 610 133.60

.8269 16 611 137.35

.8058 2 620 145.81

.7865 4 541 156.69

Additional patterns

l.PDF card 7-352 [Duwez and Jordan, 1952]

References

Duwez, P. and C.B. Jordan (1952). The crystal structure of TigAu and TigPt, Acta

Cryst. 5, 213-214.

17
Gold Vanadium 1:3, AuVj (cubic)

Sample source The sample was prepared at NBS by R. M,

Waterstrat by arc-melting and it was an- nealed at 800 °C for one hour.

Major impurities

0.001-0.01% eachiAg, Cu, Ni, Si, Sn, Ti.

0.01 -0.1 %each:cr, Fe, and Pt.

0.1 -1.0 % each:Pd.

Color

Metallic dark grey and opaque.

Structure

A15 type "0-W" [Wood and Matthias, 1956]

Space group

Ot-Pm3n (223), Z=2 [ibid.]

Lattice constants

Wood and Matthias [1956] —

Koster and Nordskog [1960]

NBS, sample at 25 °C

a(A)

4.88

±0.01

4.88

4.8813

±0.0001

o Internal standard W, a = 3.16504 A

CuK \= 1.5405 A; temp. 25 °C

d(A) I

111 hkl 26(°)

3.4515 85 110 25.79

2.4402 53 200 36.80

2,1831 31 210 41.32

100 211

1.7260 10 220 53.01

1.5435 11 310 59.87

1.3535 4 320 69.37

1.3046 33 321 72.37

12 400 7ft 97

1.1506 6 411 84.05

1.0916 8 420 89.76

1.0652 2 421 92.62

1.0407 6 332 95.48

0.9966 3 422 101.23

.9575 6 510 107.12

.9065 5 520 116.35

.8912 9 521 119.60

.8629 5 440 126.41

.8371 3 530 133.90

.8136 5 600 142.42

.7918 8 611 153 .20

Additional patterns

l.PDF card 11-20 [Wood and Matthias , 1956]

Density

(calculated) 9.987 g/cm' at 25° C.

Reference intensity

I/I

' corundum , =2.1

References

Koster, W. and H. Nordskog (1960) . Das Zweistoffsystem Gold-Vanadium, Z . Metal Ik. 51,

501-502.

Wood,E. A. and B. T. Matthias (1956). The

crystal structures of NbgAu and VgAu,

Acta Cryst. 9, 534.

18
Iridium Niobium 1:3, IrNbj (cubic)

Sample source The sample was prepared by R. M. Waterstrat at NBS by arc-melting and it was

annealed at 2000 ''C for three hours.

Major impurities

0.001-0.01% each:Al,Cr,Cu,Pd,Rd, Si and V.

0.01 -0.1 % each:Fe and Pt.

Color

Metallic dark grey and opaque.

Structure

A15 "0-W"type [Geller, Matthias and Goldstein, 1955]. Solid solution range found

from 21.5 to 28.5 At. % Ir [Giesson and

Grant, 1964]

Space group

0?-Pm3n (223), Z=2 [Geller, Matthias and

Goldstein, 1955]

Lattice constants

a(A)

Geller et al.. [1955] 5.131

Knapton [1958-9] 5.139

Giesson and Grant [1964] 5.138

NBS, sample at 25^0 5.1333

±.0001

Density

(calculated) 11.561 g/cm^ at 25° C.

Reference intensity

I/I ^ -2.8. ' corundum ~

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 °C

d (A) / hkl

3 . 632 18 110 24.49

2.566 46 200 34.93

2.296 68 210 39.20

2 .096 100 211 43.11

1,8147 4 220 50.23

1. 6236 5 310 56.64

1.4820 2 222 62.63

1.4238 13 320 65.50

1.3716 49 321 68.33

1.2832 13 400 73.78

1. 2097 3 411 79.10

1.1478 3 420 84.31

1.1198 11 421 86.92

1 .0943 10 332 89 .48

1.0478 <1 422 94. 63

1.0067 3 510 99.83

0.9532 12 520 107 .82

. 9370 1 7 col Tin ai ±1U . D / .9075 9 440 116.16

.8804 2 530 122.07

.8556 8 600 128.39

.8439 4 610 131.76

.8327 21 611 135.33

.8117 <1 620 143.23

.7921 2 541 153.03

References

Geller, S.,

(1955). S

with the

Chem. Soc

Knapton, A.

certain t

sigma pha

Giessen, B.C

tion diag

Report No

279.

B. T. Matthias and R.Goldstein

ome new intermetallic compounds

0 -Wolfram" structure, J. Am.

77,1502-4.

G. (1958-9). An X-ray survey of

ransition - metal systems for

ses, J. Inst. Metals 87, 28-32.

.,and N.J.Grant (1964). Constiturams Nb-Rh and Nb-Ir. Technical

. WADD TR 60-13 2, Part III, 223-

19
Iridium Titanium 1:3, lrTi3 (cubic)

Sample source The sample was prepared at NBS by R. M.

Waterstrat by arc-melting.

Major impurities

0.001-0.01% eachiAl, Cr, Cu, Pd, Si, V.

0.01 -0.1 % eachiAu, Fe, Mo, Pt, and Rh.

Color

Metallic dark grey and opaque.

Structure

A15 type "0-W" [Geller, 1956]

Space group

0?-Pm3n (223), Z=2 [Geller, 1956].

Lattice constants

a(A)

Nevitt, [1958] 5.0101

±.0004

Matthias et al., [1961] 5.009

NBS, sample at 25 °C 5.0087

±.0001

Internal standard Ag, a = 4.08625 A

CuKai ^= 1.5405 A; temp. 25 °C

o d (A) / hkl 26C^)

3.542 87 110 25.12

2.504 47 200 35.83

2.240 27 210 40.22

2.046 100 211 44.24

1.7713 10 220 51.55

1.5840 13 310 58.19

1.3891 4 320 67 . 35

1.3387 35 321 70.25

1.2524 6 - 400 75.91

1.1806 6 411 81.45

1.1200 8 420 86.90

1.0931 1 421 89 . 60

1.0680 8 332 92.31

1.0222 3 422 97.79

0.9822 8 510 103.29

.9301 2 520 111.82

.9143 8 521 114.79

.8854 8 440 120.91

.8590 5 530 127.46

.8348 4 600 134.63

.8126 12 611 142.85

.7919 1 620 153.13

Density

(calculated) 8.877g/cm3 at 25° C.

Reference intensity

corundum I/I =2.1

Additional patterns

1. PDF card 10-298 [Nevitt, 1958]

References

Geller, S.(1956). A set of effective coordination number (12) radii for the 0-Wolfram structure elements, Acta Cryst. 9,

885-889.

Matthias, B.T. ,V.B.Compton and E. Corenzwit

(1961) . Some new superconducting compounds, J.Phys. Chem. Solids 19,Nos.l-2,

130-133.

Nevitt, M.V. (1958) . Atomic size effects in

CrgO-type structure, Trans . AIME 212,350.

20
Iridium Vanadium 1:3, lrV3 (cubic)

Sample source The sample was prepared by R. M. Waterstrat at NBS by arc-melting.

Major impurities

0.001-0.01% eachAg,Au,Cr,Cu,Rh,Si,Sn,Ti.

0.01 -0.1 % each:Fe,Pd,and Pt.

0.1 -1.0 % each:

Color

Metallic dark grey. Opaque.

Structure

A15 type "P-W" [Nevitt, 1958]

Space group

0?-Pm3n (223), Z=2 [ibid.]

Lattice constants

Nevitt, [1958]

Matthias et al., [1961]

NBS, sample at 25 "C

a(A)

4.7854

4.795

4.7876

±.0001

Internal standard W, a = 3.16504 A

CuKai k = 1.5405 A; temp. 25 °C

d(A) 7 hkl 26(°)

3.386 78 110 26.30

2.395 50 200 37.52

2.142 31 210 42.16

1.956 100 211 46.39

1. 6929 12 220 54.13

1.5143 15 310 61.15

1.3819 1 222 67.75

1.3277 5 320 70.92

1.2793 44 321 74.04

1.1971 8 400 80.10

1.1285 8 411 86.09

1.0705 11 420 92.03

1.0448 4 421 94.99

1.0208 10 332 97.97

0.9772 4 422 104.04

.9390 10 510 110. 23

.8890 4 520 120.09

.8741 20 521 123.58

.8463 9 440 131.04

.8210 6 530 139.49

.7979 14 600 149.73

.7871 2 610 156.24

Additional patterns

1. PDF card 10-295 [Nevitt, 1958].

Density

(calculated) 10.441g/cm3 at 25° C.

Reference intensity

I/I

'

, =2.5. corundum

References

Matthias, B.T. , V.B.Compton and E.Corenzwit

(1961) . Some new superconducting compounds, J.Phys. Chem. Solids . 19, Nos . 1-2

,

130-133.

Nevitt, M. V. (1958) . Atomic size effects

in CrgO-type structures. Trans. AIME 212,

350-355.

21
Lithium Niobate, LiNbOj (trigonal)

Sample source The LiNbOs was obtained from CIBA, Rare

Metals Division, Summit, N.J. The sample

was recrystallized at NBS by W.S. Brower.

It was pulled from a melt and then annealed in oxygen at 1100° C for 10 hours.

Major impurities

0.001-0.01% each: Ba, Na, Mo.

Color

Colorless

Optical data

Uniaxial (-) . N > 2.00.

Structure

Determined by Bailey [1952].

Space group

Clv-R3 (161), Z=6, [ibid.].

Lattice constants

a(A) C(A)

Zachariasen [1928] 5.12* 13.84*

Bailey [1952] 5.147 13.856

Lapickij and Simanov

[1955] 5.150* 13 .816*

Abrahams et al.[1966] at

23" C — 5.14829 13 .8631

+.00002 ±.0004

NBS, sample at 25" C 5.1494 13.8620

±.0001 ±.0005

* from kX

Density

(calculated) 4.627 g/cm^ at 25° C.

Reference intensity

I/I , ^ 8.0

Internal standard W, a = 3.16504 A

CuKaj \ = 1,5405 A; temp. 25 C

o d /A \ T

i fire I 20(°)

7 54. 100 012 23 . 68

2.739 38 104 3 2.57

2.576 21 110 34.79

? Til •a 006 38.93

9 113 40.05

^ . -1- 10 202 42 .51

1.876 15 024 48.47

1.720 21 116 53 .21

X . O / rr

1X 911 ^ J- J- 54.80

X . O J o 1 9 1 99 56.11

X . OXD o \J xo 56. 96

1.515 11 214 61 . 10

1.487 9 300 62.41

± • ft'i-i X X Z J 64.63

1i J f^ft Do^9 /I 9nRw (J 68.52

TX • J

'5 Z9 J RO 71. 16

1.2872 2 220 73.51

1.2504 3 306 76.05

1 9Am 1

JL 223 76.78

1X 9 T 9 1 . Z J Z X J. ] 3

XJ X 77.39

X1 . 9Z X1 7R/ o 3 12 78.47

1.2080 5 128 7y . 2J

1.1775 1 0-2 '10 81 . 7 i

X . X

9 134 82.76

1X « ]X ^5 JS'^J 0 .0 • 12 83 .63

1 1 9QA 315 Ob . UU

1.1246 3 226 86.46

1.1008 2 042 88 .81

1 0109. 4. 2- 1- 10 92.00

X . L/ O X ^

1X 404 93 .04

1 n R T Q 1 • 1« 12 93 . 92

1 n 1 o X . U J

9"^ z J ^9 99 .09

1.0069 3 318 99 . 81

0.9879 1 229 102 .46

.9814 3 3 24 103.42

.9734 2 410 104.62

.9667 1 0.1'14 105. 65

.9523 <1 413 107.97

.9376 2 048 110.47

.9228 2 I-3'IO 113 .17

22
Lithium NIobate, LiNbOj (trigonal) - continued

Internal standard W, a = 3.16504 A

CuKai \ = 1.5405 A; temp. 25 °C

o d(A) / hkl 20(°)

.9121 1 3 •0.12 115.23

.9050 2 2.0.14 116.66

.8968 4 416 118.38

.8846 1 502 Xz X « Uo

.8811 2 238 121.91

.8688 2 4 . 0.. 10 124.88

.8637 2 054 126.19

.8598 3 2.2.12 127.24

.8583 2 330 Xz / . bo

.8537 2 1.2.14 128.92

.8504 2 1.0-16 129.86

.8412 1 241 132.60

.83 66 1 422 134.06

.8231 2 3 . 2 . 10 138.71

.8190 2 244 140.28

.8075 2 1.3.13,0.2-16 145.05

.8063 1 425 145.64

.8045 1 336 146.46

.7956 2 152 150.99

.7930 2 508 152.48

.7804 4 514 161.52

Additional patterns

l.PDF card 9-186.

1955]

[Lapickij and Simanov,

References

Abrahams, S.C., J.M. Reddy, and J.L. Bernstein (1966) . Ferroelectric lithium niobate. 3. Single crystal x-ray diffraction

study at 24° C, J.Phys. Chem. Solids 27,

997-1012.

Bailey, P., Thesis, Bristol (1952). Quoted

by Megaw, H.D. (1954) . Ferroelectricity

and crystal structure. II, Acta Cryst.7,

187-194.

Lapickij, A. V. and Ju. P. Simanov (1955).

Lithium metaniobate and metatantalate,Z

Fiz. Khim. SSSR 29, 1201-1203.

Zachariasen,W.H. (1928) . The crystal structure of the sesquioxides and compounds

of the type ABO3 , Skrifter Norske Videnskaps-Akad. Oslo I. Mat.-Naturv.Kl. 1928

No. 4.

23
Lithium Sodium Sulfate, LiNaS04 (trigonal)

Sample source The sample was prepared by melting equal

molecular amounts of Lis SO4 and Nag SO4

together and annealing at 500 °C overnight .

Major impurities

0.001-0.01% each: Fe,Mg,Ni

0.1 -1.0 % each: a1

Color

Colorless

Optical data

Uniaxial (+) , Nq=1.491, Ne=1.495.

Structure

Determined by Morosin and Smith [1967]

Space group

C3V-P3IC (159), Z=6 [Hilmy,1953]

Lattice constants

a(A) C(A)

Cavalca and Nardelli

(1952) 7.613 9.80

±.004 ±.03

Hilmy (1953) 7 .64 9.76

Morosin and Smith (1967)- 7.6270 9.8579

±.0007 ±.0010

NBS, sample at 25 °C— 7 .6355 9.861

±.0002 ±.001

Density

(calculated) 2.521 g/cm^ at 25° C.

Reference intensity

corundum ~ 1 • 5

Internal standard Ag, a = 4.08625 A

CuKai >- = 1.5405 A; temp. 25 °C

0 d(A) I hkl

6.62 2 100 13.37

5 .494 5 101 1 19

4.932 1 002 Yl .21

3.912 74 102 22.48

3.814 100 110 23.30

3.307 4 200 26.94

3 .136 5

~j ^ U -L 9 Q A A 3 .020 39 112 29.55

2.944 39 103 30.33

2 . 744 78 202 32.60

2.499 1 210 35.90

2 .465 8 004 J D . ^ J. 2.437 8 211 37.06

2.332 5 203 38.58

2.310 5 104 38.95

2,228 12 212 40.45

2 . 205 5 300

2.151 17 301 41 . 97

2.071 1 114 43.67

2.012 8 302 45.02

1.989 1 213 45.57

1 . 976 15 904.

1.909 18 220 47.58

1.891 7 105 48.07

1.834 6 310 49.66

1.804 1 311 50.56

1 . 780 4 9 9 9 R 1 97

1„756 4 214 52.04

1.720 4 312 53 .22

1.694 3 205 54.08

1.653 3 400 55.53

1.644 5 006, 304 55.87

1.630 <1 401 56.39

1.602 3 313 57 .48

1.568 3 402 58.83

1.549 4 215 59.64

1.5098 7 116, 224 61.35

1.4999 <1 321 61.80

1.4769 <1 403 62.87

1.4721 9 206,314 63 .10

I/I

24
Lithium Sodium Sulfate, LiNaS04 (trigonal) - continued

Internal standard Ag, a = 4.08625

OA

rV CuKa 1 ^ = 1.5405 A; temp. 25 "C

d(A) 1 rife hbJI 20('')

1 .4499 5 322 64.18

1.4430 11 410 64.52

1 .3846 5 412 67 . 60

1.3781 6 107, 323 67 . 96

1.3735 7 216, 404 68.22

1 . 3427 2 315 70.01

1.3222 1 500 71.26

1.3176 1 306 71.55

1.2960 2 207 72 .93

1.2925 1 3 24 73 . 16

1.2775 1 502 74.16

1.2722 5 330 74.52

1 . 2494 2 420 76. 12

1.24 54 3 226,414 76 .41

1.2323 3 008, 332 77 . 37

1 . 2274 1 217, 503 77.74

1 . 2245 1 316 77 . 99

1. 2113 4 108,422 78. 97

1.2023 1 325 79 . 68

1,1869 1 307 80 . 93

1 . 1790 <1 511 81.58

1. 1656 3 406,504 82 . 72

1. 1548 2 208, 512 83 . 67

1.1306 1 334 85 .89

1.1171 4 317, 513 87 . 18

1 . 1146 1 326,424 87 .43

1.1052 1 218 88.36

1.1025 1 600 88 • 64

1.0985 <1 505 89.04

1.0953 1 601 89.35

1.0845 1 416 90.51

1.0808 1 109,431 90.90

1.0720 1 407 91.86

Additional patterns

l.Hilmy [1953]

References

Cavalca, L. and M.Nardelli (1952). Sistema

ternario: Naa SO4 -Lia SO4 -Ha O a 27.0° ed a 45.6",Gazz.Chim.Ital.82,3 94-40 5.

Hilmy, M.E. (1953). Structural crystallographic relation between sodium sulfate

and potassium sulfate and some other

synthetic sulfate minerals. Am. Minera legist 38, 118-135.

Morosin, B.and D.L.Smith (1967) .The crystal

structure of lithium sodium sulfate, Acta

Cryst. 22, 906-910.
Lithium Sulfate, Li2S04 (monoclinic)

Sample source The sample was prepared by heating Fisher reagent Lis SO4 'HsO for 24 hours at

600 °C,

Major impurities

0.1 -1.0 % each: Na

Color

Colorless

Optical data

Biaxial (-) ,N^=1.468, Np=1.472,N^=1.475,

2V is large.

Structure

Determined by Albright [1932].

Space group

c|h-P2i/a (14) . Z=4.

Lattice constants

a(A} h(A) c(A) /3(°)

Albright

[1932] -- 8.27* 4.96* 8.4 6* 107"54'

NBS , sample

at 25°C- 8.2414 4.9533 8.474 107°58.8'

±.0004 ±.0003 ±o001 ±0.3 '

*from kX

Density

(calculated) 2.219 g/cm^ at 25° C.

Reference intensity

corundum ~

*

References

Albright, J ,G. (1932) . The crystal structure

of lithium sulfate, Z.Krist. 84,150-158.

Forland, T., and J. Krogh-Moe, (1957). The

structure of the high temperature modification of lithium sulfate, Acta Chem.

Scand. 11, 565-567.

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

(1938). Chemical analysis by x-ray diffraction, Ind. Eng. Chem, Anal. Ed. 10,

457-513

Internal standard W, a = 3.16504 A

CuKai \ = 1.5405 A; temp. 25 °C

0 d(A) / hkl

4.225 11 Oil 21.01

4. 193 9 110 21.17

4.048

1-100

201 21.94

4.03 0 J 002 22.04

3 .999 100 111 22.21

3 .919 47 200 22.67

3 .490 22 111 25. 50

3.382 10 202 26.33

3 . 177 28 112 28.06

3 . 163 41 201 28, 19

3 . 13 9 12 211 28,41

3 .074 5 210 29,02

2.792 10 212 32,03

2.691 5 112 33 ,27

2. 665 3 211 3 3,60

2.628 8 203 34,09

2 .479 22 020 36,21

2.402 10 311 37 ,40

2.3 61 6 013, 120 38,08

2.319 9 213 38,79

2.211 2 121 40.77

2 . Ill 3 022, 113 42 . 81

2.094 4 220 43.16

2.025 2 402 44.71

2.015 2 004 44.94

1.997 1 222 45.3 8

1. 952 12 203 46.47

1.947 9 114 46.62

1.912 1 214 47.52

1.900 1 411 47.84

1.884 4 403 48.26

1.875 5 412 48.52

1.866 2 014 48.75

1.83 9 1 321 49.53

1.823 3 410,023 50,00

1.816 2 213 50 . 19

1. 803 2 3 12 , 223 50.59

1.789 1 322 50.99

1.781 3 401 51.24

1.778 2 314 51.35

1.744 1 222 52.43

1.709 1 114 53 . 59

1. 697 1 123 53 .98

1.686 2 205 54.3 7 1. 667 2 323 55,05

I/I
Lithium Sulfate, Li2S0

d (A) / hkl

i . 517 1 031 56. 88

1.616 1 130 56.94

1.603 3 131,204 57.44

1.595 2 215, 115 57.74

1.582 1 421,402 58.29

1.565 2 422, 131 58.96

1.553 1 313,511 59.45

1.533 3 315,015,+ 60.3 2 1.529 4 231,03 2 60.52

1.525 3 322, 214 60.66

1 . 510 1 324 61 . 33

1.507 1 412 61.48

1.499 1 423 61.83

1.4947 4 510 62.04

1.4910 4 405 62.21

1.4830 3 23 2 62 . 58

1.4677 1 132, 124 63 .31

1.4638 1 231 63 .50

1.4463 1 421 64.3 6

1.4256 2 13 3 65.41

1.4160 2 514 65 . 91

1.4116 2 206 66.14

1.4067 2 033 66.40

1.3974 3 233,511 66.90

1.3921 2 403,332 67.19

1.3735 1 602 68. 22

1.3653 1 323 , 521 68.69

1.3570 <1 601, 216 69. 17

1.3503 1 603 69.56

1.3432 2 006 69.98

1.3344 <1 523 70.51

1.3096 1 611 72.05

1.3067 2 600 72.24

1.2937 1 604 73 .08

1.2913 <1 234 73 . 24

1. 2836 1 512 73 . 75

1.2796 2 43 2 74.02

1.2771 2 125,034,+ 74.19

1.2693 <1 524,416 74.72

1.2624 1 430 75. 20

1.2553 <1 521 75.70

1.2479 1 334 76. 23

1.2307 1 601 77 .49

1.2229 1 140, 134 78.08

1.2183 1 141 78.43

Polymorphism

Above 57 5° LigS04 is cubic. [Forland and

Krogh-Moe, 1957]

4 (monoclinic) - continued

d (A) / hkl 20(°)

1.2147 1 605 78.71

1. 2009 1 622, 141 79.79

1.1947 1 611 80,29

1.1917 <1 414 80.53

1.1876 2 516 80.87

1. 1861 1 142, 225 80 , 99

1.1801 3 615,315 81.49

1.1652 1 317,206 82.76

1.1620 1 531,407 83 .04

1.1605 1 117,426 83.17

1. 1547 1 142 83 . 68

1.1535 1 035, 241 83 .79

1.1498 1 234 84.12

1.1421 <1 43 2 84.82

1.13 83 1 713 85.17

1. 1290 1 341, 711 86, 04

1.1266 1 606 86.27

1.1169 <1 342 87.20

1.1064 <1 435, 135 88.24

1.1027 1 621 88.62

1. 1012 <1 534 88. 77

1,0982 <1 616 89.07

1.0922 1 531, 710 89.69

1.0906 1 625,405 89.86

1.0853 1 343 90.42

1.0818 1 523 90 . 80

1.0685 1 144 92.25

1.0657 1 715,415 92,57

1.0631 1 722, 244 92,86

1.0574 1 723,208 93 ,51

1.0545 1 226 93 , 85

1.0485 <1 631 94,5 5 1.0456 <1 243, 235,+ 94,89

1.0414 1 711 95,40

1,0355 1 408,532,+ 96,12

1.0277 <1 802,436 97 , 09

1,0239 1 144 97,57

1,0183 <1 118, 634 98,30

1,0128 <1 804 99,02

1.0088 <1 716, 527 99.53

1. 0071 <1 813 99. 78

0 .9889 <1 542 10 2.3 2 .9873 1 541,018 10 2.5 5 .9855 <1 434 102.81

.9822 1 712, 345,+ 103 .30

Additional patterns

l.PDF card 1-0443 [Hanawalt et al,, 1938]
Molybdenum Osmium 3:1, MO3OS (cubic)

Sample source The sample was prepared at NBS by R. M.

Waterstrat by arc-melting and it was an- nealed at 2000 °C for two days.

Major impurities

0 001-0 Ol^y each* Al Au Co Cr Cu Nb

Si, Sn, V, and Zr

0.01 -0.1 % each: Fe, Ir, and Rh

Color

Metallic dark grey and opaque.

Structure

A15 type "3-W" [Raub, 1954].

Space group

Oh-Pm3n (223), Z=2 [ibid.].

Lattice constants

a(A)

Raub, [1954] 4.973*

NBS, sample at 25 "C 4.9689

+.0001

*from kX

Density

(calculated) 12,940 g/cm^ at 25° C.

Reference intensity

, = 2.5

corundum

Internal standard W, a = 3.16504 A

CuKai k = 1.5405 A; temp. 25

o a (A) I nkl

J . D X J Tin 25.33

2.483 50 200 3 6 . 14

2 . 222 81 210 40 . 56

z

9 • nu 0z Qo xu1 nou oil Z X X 44.64

1 "7 Q Jozoz nu 51.98

X . Z) / XZ Aft JTinxu 58.71

1.4342 3 222 64. 97

1.3778 17 320 67 .98

X • J Z / /

"3 0 1 J Z X 70.92

X • ZhtZU Xj /inn 76.66

X X / X X z ft X X 82 . 25

1.1110 12 420 87 . 78

1.0844 14 421 90.52

1 n c: Q c J- . UDy D XX 0 "3 O J J Z 93 .27

1 . U142 X

/I o o 4zz 98.83

0.9745 3 510 104.45

.9226 14 520 113 .21

.9072 18 521 116. 22

.8783 11 440 122 ,55

.8522 <1 530 129.34

.8282 11 600 136.87

.8169 4 610 141.10

.8061 22 611 145.71

.7856 <1 620 157.30

References

Raub E. (1954). Die Legierungen der PlatinI/I metalle mit Molybdan, Z. Metallk. 45,23.

28
2-Naphthylamine, N-phenyl-, C^gH^3N (orthorhombic)

Sample source The sample was supplied by P.J.Linnig at

NBS

Color

Colorless

Optical data

Biaxial (-) Nj^=1.636, Ng = 1.82, 1<!^=1.92

2v= 65" [McCrone, 1951]

Structure

Orthorhombic [ibid.].

Space group

Not determined. Z=8 [ibid.].

Lattice constants

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

McCrone [1951] 17.45 18.25 7.52

NBS, sample

at 25°C 17.303 18. 183 7.518

±.002 ±.004 ±.002

Density

(calculated) 1.232 g/cm^ at 25° C.

Reference intensity

A = corundum

Additional patterns

l.PDF card 5-0254 [McCrone, 1951]

References

McCrone, W.C.(1951). N-Phenyl-2-naphthylamine. Anal. Chem. 23, 1884.

Internal standard W, a = 3.16504 A

aj \ = 1.5405 A; temp. 25 °C

d(A) T1 fin I

12 .49 Tin 7 07

9.07 39 020 9.74

8. 66 7 200 10.20

6.894 JL\J J- X19m ^ . oo 6.449 111 X1 o . 7/ 9^

6.267 q ^ ^ w X'^ 14 . X19^ 5.497 28 310, 121 16.11

4.815 100 221 18.41

4.572 7 301 19 . 40

4.544 13 1, 040 19.52

4.327 jo rt \J Z90 '>1 . ^ X 4. 143 72 231 21.43

3 .907 15 420 22.74

3.797 /ft OA

3.669 xu z , ^ X

9 J. OA

3 . 556 cO X DU

3 .475 11 022 25.61

3.459 10 500 25.73

3.401 **A 1 n 9fi Z O . Xo1 R

3.218 XDX 1 1^1 9Z 7/ . 7/ 0U

3 . 193 m 9 z97/ . q9^ z

3 . 140 16 501, 132 28.40

3 .098 20 511 28.79

2.971 Q-/ OR Z9 1X TO OR

2.883 Q Ann 0 qq

2.855 A 149 Xft z oT X1

. 0 nl; 2 .790 <3 531 32.05

2.581 <3 621 34.73

2.431 X17 1 / X

O C QA

2.382 .J ^ Z O

"^7

/ • 7/ Aft

2.359 w / f» D X 2.277 <3 262 39.54

2.272 <3 080, 612+ 39.64

2.139 07 9 49^ z . z9 9z 2.090 4T^O . Z9fiD

2.006 OCT zoo , X1 qny

4 c; 1 R 1.952 Q^n nqi 4fi 47

1. 944 <3 481,353 46.69

1.921 <3 163 47.28

1.881 <3 613,920+ 48.34

1.859 <3 850, 114 48.95

1.843 <3 382, 581 49.41

1.825 <3 921 49.94

1.794 <3 034, 173 50.84

1.733 <3 842, 2- 10-1 52.79

I/I

29
Niobium Osmium 3:1, NbjOs (cubic)

Sample source The sample was prepared at NBS by R. M.

Waterstrat by arc-melting and it was an- nealed at 1600 °C for five days.

Major impurities

0.001-0.01% each: Ag, Au,Cu, Ir, Pd,Si,Sn,V

0.01 -0.1 % each: Cr, and Pt.

Color

Metallic dark grey and opaque

Structure

A15 type "0-W" [Geller et al., 1955].

Space group

0?-Pm3n (223), Z=2 [ibid.].

Lattice constants

a(A)

Geller, et al., [1955] 5.121

±.002

NBS, sample at 25 °C 5.1348

±.0001

Density

(calculated) 11.502 g/cm^ at 25° C.

Reference intensity

I/I =4.7

o Internal standard Ag, a = 4.08625 A

CuKai ^= 1.5405 A; temp. 25 °C

o a (A) / hkl 20(°)

3 . 63 2 23 Tin 24 . 4 y

2.568 50 200 34.91

2.297 78 210 39.18

2.097 100 oil 211 43 . U9

1 . 816 4

0

22U

i . 625 6 3 iU DO . OU

1.4826 2 222 62.60

1.4240 13 3 20 65.49

T "D "7 n 1 4U J z X Q on DO • J U

1 o Q "3 1 • ZOO D Iz /inn 7 "5 "7 R / J . / O

± , Z 1U4 oz tl- /111XX / y • U4t 1.1483 10 420 84.25

1.1206 9 421 86.84

1 HQ n ± • uy du / Q T 0 J J Z oy m ^ -L X . Uft /y TX 4i-ZZ y'i- • Dz

X Uz /

< X 41- J u y / • xo 1.0070 3 510 99.80

0.9534 9 520 107.78

Li D z X XXU Tin • DU

.9077 1 440 116.11

.8807 2 530 122 .00

.8679 <1 531 125.12

.8559 7 600 128.31

.844 2 3 610 131.69

.8330 15 611 135.25

.8119 1 620 143 . 13

.7923 1 541 152.91

References

Geller, S., B.T, Matthias, and R. Goldstein

(1955). Some new intermetallic compounds

with the "0 -Wolfram" structure, J. Am.

Chem. Soc. 77, 1502-1504.

30
Niobium Platinum 3:1, Nb3Pt (cubic)

Sample source The sample was prepared at NBS by R. M.

Waterstrat by arc-melting and it was an- nealed at 1600 °C for five days.

Major impurities

0.001-0.01% each:Al, Cu, Ir, Pd, and Si.

0.01 -0.1 % each:Au,Cr,Fe,Os,Rh, and V.

Color

Metallic dark grey and opaque.

Structure

A15 type "P-W" [Geller et al.. 1955]

Space group

Ot-Pm3n (223), Z=2 [ibid.]

Lattice constants

a(A)

Geller et al., [1955] 5.153

Greenfield and Beck [1956] 5.11

NBS, sample at 25 °C 5.1524

±0.0001

Internal standard W, a = 3.16504 A

CuKaj K = 1.5405 A; temp. 25 °C

o

/I /A \ a (A) 1 HKl 26(°)

3 . 642 1 A 14 IIU Tin 24 .42

2.575 42 200 34.81

2.304 64 210 39.07

2 . 102 lUu oil 211 A O QQ 42 . yy

1 . 823 5

o o r\ cn r»n OU . UU

1 . 629 6 3 lU Db .42

1.488 3 222 62.35

1.4289 16 320 65.24

1 . 3 /bb Db 321 bo . Ud

1 o o o c lb 4UU 1 A 1

A4 411 no no / CS . / J 1.1522 16 420 83.90

1.1244 14 421 86.48

1 . 0983 13 332 ciy . Ub

1 . U51o 2

^ o o 42 2 y4 .lb

rO O lU y y . J 2 0.9568 16 520 107.22

O Z X

.9110 14 440 115.26

.8838 3 530 121.26

.8588 13 600 127.50

.8470 7 610 130.84

.8358 31 611 134.30

.8146 1 620 142.01

.7950 3 541 151.33

Density

(calculated) 11.503 g/cm^ at 25° C.

Reference intensity

I/I' corundum .-49 ~ -x »

Additional patterns

l.PDF card 8-371 [Greenfield and Beck, 1956]

References

Geller, S.,B. T. Matthias, and R. Goldstein

(1955) . Some new intermetallic compounds

with the "3 -Wolfram" structure, J. Am.

Chem. Soc. 77, 1502-1504.

Greenfield, P. and P. A. Beck (1956). Intermediate phases in binary systems of certain transition elements. Trans. AIME

206, 265-276.

31
Palladium Vanadium, 1:3, PdV3 (cubic)

Sample source The sample was prepared by R. M, Waterstrat at NBS by arc-melting and it was

annealed at 1100 °C for two weeks.

Major impurities

0.001-0.01% each: Ni,Rh and Ru.

0.01 -0.1 % each: Cr, Fe,Mo, Pt, Si, and Ti.

Color

Metallic dark grey and opaque

Structure

A-15 type"6-W" , isomorphous with C0V3 and

NiVa [Koster and Haehl, 1958]

Space group

0§-Pm3n (223), Z=2 [ibid.]

Lattice constants

a(A)

Koster and Haehl [1958] 4.81

NBS, sample at 25"C 4. 8254

±.0001

Internal standard W, a = 3.16504 A

CuKa, K = 1.5405 A; temp. 25 °C

0 Wa /A \ (A) TI UK I 26(0)

3 .414 17 110 26.08

2.4124 45 200 37.24

2. 1582 76 210 41.82

1.9697 100 211

1. 7066 4 220 53.66

1.5255 4 310 60.65

1.3926 2 222 67. 16

1.3384 14 320 70.27

1,2895 45 321 /J.JO

1.2065 15 400 79.35

1, 1373 3 411 85.26

1.0790 13 420 91, 10

1.0528 12 421 94.05

1. 0288 12 332 y 0 . y b

0.9848 2 422 102.92

.9463 5 510 108. 97

.8960 14 520 118.55

.8809 19 521 121.94

.8530 14 440 129. 12

, 8276 3 530 137.09

.8042 12 600 146.55

.7933 4 610 152.32

.7828 25 611 159.46

Density

(calculated) 7.662 g/cm' at 25° C.

Reference intensity

I/I

'

, = 1.2 corundum

Additional patterns

1. Koster and Haehl [1958]

References

Koster, W. and W.-D. Haehl (1958). Das Zweistoffsystem Palladium-Vanadin, Z .Metallk,

49, 647-649.

32
Platinum Titanium 1:3, PtTi3 (cubic)

Sample source The sample was prepared by R. M. Waterstrat at NBS by arc-melting.

Major impurities

0.001-0.01% each:Al, Cr, Cu and Si.

0.01 -0.1 % each:Fe and Pd.

Color

Metallic dark grey and opaque.

Structure

A15 type "g-W" [Duwez and Jordan, 1952].

Space group

0t-Pm3n (223), Z=2 [ibid.]

Lattice constants

a(A)

Duwez and Jordan [1952] 5.031

Nishimura and Hiramatsu [1957] — 5.024

NBS, sample at 25 "C 5.0327

±0.0001

Density

(calculated) 8.826 g/cm^ at 25° C.

Reference intensity

A =2.7. corundum

Additional patterns

1. PDF card 7-353 [Duwez and Jordan, 1952]

Internal standard W, a = 3.16504 A

CuKaj K = 1.5405 A; temp. 25 °C

d /A) T

I

J » ^ ^ ^ 90 XTinX w 9 R DA

2.516 46 200 35.65

2.250 27 210 40.03

9 n R R 1 no ^911X X AA n 0

J_ J_ z9 <^90u 1

-L1 JR J xw1 n ^1 Q

o / • y X 1.4531 <1 222 64.02

1.3955 4 320 67.00

J- * J t ;? 49 J ^9 X1 X . O X 7 W U

1 . 1861 Q 41 1 1.1253 10 420 86.39

1.0981 3 421 89.09

Q J O 9 Ql^ X . 7ft / o

1 0 97 9 9 Q7 1 R

0.9871 7 510 102.58

.9346 3 520 111.01

.9188 12 521 113.93

.8895 5 440 119.97

.8631 5 530 126.37

.83 89 7 600 133 .33

.8274 <1 610 137.15

.8164 16 611 141.27

.7957 2 620 150.92

References

Duwez, P., and C.B.Jordan (1952). The crystal

structure of TigAu and Tig Pt, Acta Cryst.

5, 213-214.

Nishimura, H. and T. Hiramatsu (1957) .On the

corrosion resistance of titanium alloys

(2nd report) The equilibrium diagram of

the titanium - platinum system, Nippon

Kinzoku Gakkaishi 21,469-474.

I/I

33
Platinum Vanadium 1:3, PtVj (cubic)

Sample source The sample was prepared at NBS by R. M.

Waterstrat by arc-melting and it was an- nealed at 800 °C for one hour.

Major impurities

0.001-0,01% each:Ag,Au,Cr,Cu,Ir,Si,and Sn.

0.01 -0.1 % eachiFe, Pd, and Ti.

Color

Metallic dark grey and opaque.

Structure

A15 type "0-W"[ Greenfield and Beck, 1956]

Space group

Ot-Pm3n (223), Z=2 [ibid„]

Lattice constants

a(A)

Greenfield and Beck, [1956] 4.808

Matthias et al ., [1961] 4„814

NBS, sample at 25 °C 4.8166

±0.0001

Density

(calculated) 10.340 g/cm^ at 25° C.

Reference intensity

l/I , -2.4

Additional patterns

l.PDF card 8-434 [Greenfield and Beck, 1956]

Internal standard W, a = 3.16504 A

CuKaj K = 1.5405 A; temp. 25 C

o Ha /A 1 (jij r

I 20C)

fin 110 26. 13

2.409 46 200 37.30

2.154 29 210 41.90

i . /

1 no 911 46.11

1 7097 XVJ 1 n 9 90 53.79

X o O XW 60 . 75

1.3359 5 320 70.42

1.2875 8 321 73 .49

Do 400 79.52

J- . XO 411 85.44

X1 . 0771 / /X A 490 91.31

1.0510 4 421 94 . 26

1.0271 13 332 97.17

422 103.13

12 510 109.25

.8944 5 520 118.90

.8794 19 521 19 9 '51 .8515 10 440 129.54

.8260 8 530 137.64

.8028 14 600 147.27

.7918 2 610 153.19

.7813 25 611 160.68

References

Greenfield, P. and P. A. Beck (1956). Intermediate phases in binary systems of certain transition elements. Trans. AIME

206, 265-276.

Matthias, B.T. ,V.B.Compton and E. Corenzwit

(1961) . Some new superconducting compounds, J.Phys. Chem. Solids 19,Nos.l-2,

130-133.

34
Potassium Cobalt(ll) Sulfate, K^Co^fSO^jj (cubic)

Sample source The sample was prepared at NBS by melting KaS04 and CoSO^ together at approximately 600° C.

Major impurities

0.001-0.01% each: a1, and Na.

Color

Deep purple

Optical data

Isotropic. N=lo608.

Structure

Isostructural with Ka Mgg (SO4 ) 3 , langbeinite. [Gattow and Zemann,1958]

Space group

T*-P2i3 (198), Z=4 [ibido]

Lattice constants

a(A)

9.929

±.004

9.9313

±.0001

Density

(calculated) 3.283 g/cm^ at 25° C.

Reference intensity

, = 2.0 corundum

References

Gattow, G. and J.Zemann(1958) . Uber Doppelsulfate vom Langbeinit-Typ,A3 b| (SO4 )3 , Z. Anorg.Allgem.Chem. 293, 233-40.

Internal standard W, a = 3.16504 A

CuKoj K = 1.5405 A; temp. 25

J hkl 20 (°)

5.74 14 111

4.442 14 210 1 Q Q7

4.057 16 211

3 .312 6 221 26o90

3 .142 100 310 28.38

2.996 24 311 <1 ^ . ou 2.756 10 320

2.654 58 321

2.409 6 410 37.30

2.278 3 331 39.52

2 .222 1 420 AO

2.167 2 421

2.118 4 332 A') ^ Z . DDR 2.027 17 422 44.67

1.987 5 430 45.62

1.948 18 510 Af\ R ft 1.912 4 511 /I4t 7 c; n / » DU

1.845 10 520 y • J 'J- 1.814 2 521 50 .25

1 = 756 1 440 52.04

1.728 12 522

1.703 3 530 D J . / 0

1.678 1 531 R4 ftil 1.656 1 600 55.45

1.633 3 610 56.30

I06II 21 611

1.571 6 620

1.551 6 621

1.533 5 541 60.3 3 1.515 <1 533 61.13

1.498 2 622 D X 0 00

1.481 6 630 *^9 f^Q

1.465 9 631

1.4334 4 444 65.01

1.4188 4 63 2 65.76

1.4046 2 710 D D . 0 X 1.3910 1 711 A7 0 R 1.3772 1 640 Do . U X 1.3 642 2 720 58 0 7 5 1.3515 6 721 69.4 9

1.3274 2 642 70.94

1.3155 2 722 71 068

1.3040 2 730 72.41

1.2931 7 731 73 .12

1.2716 1 650 74 .56

I/I

35
Potassium Cobalt(ll) Sulfate, KjCOjlSOJj (cubic) - continued

d (A) / hkl 26(0)

lo2614 3 651 75.27

1„2321 5 810 77.39

lo2228 2 811 78.09

1.2134 1 733 78.81

1.2044 1 820 79.51

1.1954 9 821 80.23

1.1869 1 653 80.93

1.1703 4 822 82.32

1.1627 2 83 0 82.98

1.1546 5 831 83.69

1.1468 5 751 84.3 9

1.13 94 1 662 85.07

1.1318 3 83 2 85.77

1.1246 4 752 86.46

1.1102 1 840 87.86

1.1035 2 841 88.53

1.0966 2 910 89.24

1.0904 3 911 89.90

1.0840 2 842 90.58

1.0773 2 920 91.28

1.0710 2 921 91.98

1.0589 2 664 93 .34

1.0528 7 922 94.05

1.0472 2 930 94.71

1.0412 5 931 95.43

1.0300 1 852 96.80

1.0243 1 93 2 97.52

1..0135 <1 844 98.93

1.0087 <1 940 99.57

1.0031 4 941 100.3 2

0.9984 1 933 100.98

.9933 1 10»0-0 101.69

.9883 3 lO'l'O 102.40

.9835 3 lO.l'l 103.10

.9739 2 10.2'0 104.54

.9692 2 10 •2-1 105.26

.9647 5 950 105.96

.9602 2 951 106.67

.9555 1 10»2-2 107.44

.9512 2 10.3 '0 108.14

.9470 2 10-3 .1 108.85

.9344 2 10 '3 '2 111.04

.9302 1 871 111.79

.9263 <1 953 112.52

.9223 1 10.4'0 113.26

d (A) / hkl 26(°)

.9181 2 10-4.1 114.06

.9142 <1 10 03.3 114.81

.9067 2 10.4.2 116.32

.9028 1 962 117.11

.8992 1 11.1-0 117.88

.8954 1 11-1.1 118.68

.8884 3 11.2-0 120.23

.8847 2 11.2-1 121.06

.8779 <1 880 122.66

.8744 2 11.2-2 123.50

.8710 1 11.3 -0 124.34

,8676 1 11-3-1 125.19

,8645 3 10-4-4 126.00

.8611 2 964 126.88

.8579 5 11-3-2 127.74

.8515 2 10-6-0 129.53

.8484 1 11-4-0 130.43

.8454 2 11-4-1 131,33

.8423 1 11-3-3 132.25

.8393 1 10.6-2 133 .20

.83 64 1 ll-4»2 134.12

.8334 2 965 135.09

.8276 1 12-0-0 137.09

.8247 4 12-1-0 138.12

.8220 3 12-1-1 139.12

.8192 3 11-5-1 140.20

.8163 2 12-2-0 141,31

.8136 2 12-2-1 142,43

.8109 2 11-5-2 143.58

.8055 2 12-2-2 145.98

.8029 3 12-3-0 147.23

.8002 3 12-3-1 148.53

.7977 2 11-5-3 149.85

.7926 1 12-3-2 152.71

.7901 1 11-6-1 154,28

.7851 1 12-4-0 157.66

.7827 3 12-4-1 159.56

36
Potassium Cobalt(ll) Trifluoride, KCoFg (cubic)

Sample source The sample prepared at NBS was a washed

precipitate obtained from a mixture of

KF and CoCls solutions.

Major impurities

0.001-0.01% each: Ca,Cs,Cu,Fe,Na,Pb,Rb,

Si, and V.

0.01 -0.1 % each: Al,Mn,Ni, and Sr.

Color

Medium purplish pink.

Optical data

Isotropic N=1.468

Structure

Cubic perovskite [Riidorff et al, 1959] and

[Okazaki et al, 1959] .KC0F3 has been reported to have a doubled cell [Martin

et al. 1956] ? however, we found no evidence for this.

Space group

Oh-Pm3m{221) Z=l. [Riidorff et al., 1959]

Lattice constants

Riidorff et al. [1959]

Okazaki et al. [1959]

Knox [1961]

NBS, sample at 25°C--

a(A)

4.062

4.069

+ .001

4.071

4.0708

±.0001

Density

(calculated) 3.816 g/cm^ at 25 C.

Reference intensity

I/I , =3.4 ' corundum

Polymorphism

Below 78°K. KC0F3 is distorted to a tetragol cell. [Okazaki and Suemune, 1961].

Additional patterns

l.PDF card 1-949, [Dow Chemical Co.]

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 °C

d {A) / 2B(°)

4.071 26 100 4^71J. • PI0 J- 2.879 100 110 31.04

2.349 14 111 38.28

7 0 / Z ZUU 7 nn A A AO 44 . 4o

XZ1 7 7 1 n z xu c n n "7 DU . U /

X • OOZ J Z7 XX11 1.4393 30 220 64.71

1.3564 4 300 69. 20

X • z 0 0 ^ 1 9 J xu

X • Z Z / 0 ^ i. J X X 7 7 7 1 11,11.

X1 • J-1 7/ 0\J "^n Q0 z7 z7 z7 ROX1 Q 7 , 3? z 1.1290 <1 320 86.04

1.0879 11 321 90. 15

1 017 7

•3 ADD Q P "3 7 nu . Qft74 ^0 /

. 9596 5 411 106. 77

.9340 <1 331 111.11

.9103 8 420 115.59

.8884 2 421 120.23

.8678 3 332 125.15

.8309 5 422 13 5.93

.8141 <1 500 142.20

.7983 7 510 149.54

Stephenson

in complex

structures

,

References

Knox, K. (1961) . Perovskite-like fluorides

I. Structures of KMnFg ,KFeF3 ,KCoF3 ,KNiF3

,

and KZnFg . Crystal field effects in the

series and in KCrFg and KCUF3 , Acta

Cryst. 14, 583.

Martin, R. L. ,R.S .Nyholm and N.C,

(1956) . Antiferromagnetism

fluorides with perovskite

Chem. Ind. London 1956, 83.

Okazaki, A. , and Y. Suemune (1961). The crystal structures of KMnFg , KFeFg , KNiFg

and KCuFs above and below their Neel

temperatures, J.Phys.Soc. Japan 16, 671.

Okazaki, A., Y. Suemune and T. Fuchikami

(1959). The crystal structures of KMnFg

,

KFeF3 , KCoFa , KNiFa and KCUF3 , J. Phys

Soc. Japan 14, 1823.

Riidorff, W., J. Kandler, G. Lincke and D.

Babel (1959). Uber Doppelf luoride von

Nickel und Kobalt, Angew. Chem. 71, 672.

37
Potassium Copper(ll) Trifluoride, KCuFg (tetragonal)

Sample source The sample was precipitated at NBS byadding CuCls to an excess of KF in solution .

Major impurities

0.001-0.01% each: Ca,Co,Cs,Fe,Mg,Mn,Pb,

Rb,Sn and Sr.

0.01 -0.1 % each: Al,Na,Si and V.

Color

Very pale blue.

Optical data

Crystals averaged 5n in size and appeared almost isotropic; N= 1.516.

Structure

Tetragonal distorted perovskite type

[Edward and Peacock, 1959] . KCuFg is re- ported to have a superstructure [Okazaki

and Suemune, 1961] , but Knox [1961] found

no evidence detectable in a powder pattern and it was not seen in the present

study. In the superstructure cell a=W 23^

and c=2co, where ao and cq are the constants for the simple cell.

Space group

C^v-P4mm (99)

Z = l.

[Edward and Peacock, 1959]

Lattice constants

Internal standard W, a = 3.16504 A

CuK ai \ = 1.5405 A; temp. 25

d (A) 7 hkl 2d(°)

4. 15 27 100 21.41

3.93 13 001 22.60

2.933 55 110 30.45

100 101 31.33

2,349 11 111 38.28

2.073 65 200 43.63

1.963 29 002 46.20

1.854 6 210 49.10

1 . 832 6 201 49 . 73

1.775 5 102 51.45

1.676 32 211 54.72

1.631 16 112 56.36

1.465 13 220 63.46

1,424 24 202 DO . 4 / 1.381 2 300 67 .82

1.372 2 221 68.28

1.347 4 212 69.77

1.3101 8 310,003 72.02

1.3028 7 301 72.49

1.2477 5 103 76.26

1. 1738 8 222 82.02

1. 1066 1 203 88.22

1.1026 5 321 88.63

1.0896 5 312 89.97

1.0688 5 213 92.22

1.0357 3 400 96.09

Edward and Peacock [1

Hoppe [1959]

Okazaki et al. [1959].

Knox [1961]

NBS, sample at 25"C—

a(A) C(A)

4.13 3 . 92

4. 14 3,92

4. 14 3 .926

4. 140 3,922

4. 1429 3 , 9260

±.0004 +.0009

Density

(calculated) 3.934 g/cm^ at 25° C.

Reference intensity

I/I

'

, = 2.8 corundum

References

Edward, A.J. and R.D. Peacock, (1959). The

structures of potassium trif luorocuprate

II and potassium trifluorochromate II,

J. Chem. Soc. 1959, 4126-4127.

Hoppe, R. , (1959). Untersuchungen an tarnaren Fluoriden, Angew. Chem. 71, 457.

Knox,K. (1961). Perovskite-like fluorides.

I. Structures of KMnFa , KFeFs , KC0F3 , KNiFg

and KZnFa . Crystal field effects in the

series and in KCrFg and KCuFa . Acta

Cryst. 14, 583-585.

Okazaki, A. and Y, Suemune (1961) .The crystal structure of KCuFg , J. Phys . Soc.

Japan. 16 176-183.

Okazaki, A., Y. Suemune and T.Fuchikami

(1959). The crystal structures of KMnFs

,

KFeFg , KC0F3 , KNiFa and KCuFs , J. Phys. Soc.

Japan 14 1823-1824,

38
Potassium Iron(ll) Trifluoride , KFeF^ (cubic)

Sample source o The sample was precipitated at NBS by Internal standard W, a = 3.16504 A

mixing solutions of FeCla and KF. The CuKa, \ = 1.5405 A: temn. 25 C

material was washed, then heated to about

400 C. in vacuum. o a (A) I rlkl

Major impurities 4.124 30 100 21.53

0.001-0,01% each: Al. 2.915 100 110 30.64

13 111 37.77

0.01 -0.1 % each: Na and Si. 2.061 67 200 43 . 89

1.843 12 210 49.40

Color

Light yellowish brown. 1.6822 32 211 54 . 50

1.4564 30 220 63 . 86

1.3733 6 300 68. 23

Optical data 1.3029 13 310 72 .48

Isotropic, N= 1.43o. 1.2426 <1 311 76.61

Structure 1. 1894 6 222 80 . 72

Cubic perovskite [Okazaki and Suemune, 1 . 143

1 3 20 84.73

1961] . KFeFs has been reported to be 1.1015 9 321 RROo . 7/ Aft only pseudo-cubic at room temperature 1.0303 4 400 96.77

[Martin et al., 1956]. It is reported as 0.9995 1 410 100.82

1959] . We found no departure from cubic .9713 5 411 104.94

symmetry at 25 °C. .9454 <1 331 109, 13

.9215 6 420 113.42

opace group

.8991 1 421 117 .89

Oi-PmSm (221) Z=l. .8784 2 332 122.54

.8410 6 422 132, 65

.8241 <1 500 138.33

.8081 8 510 144,80

References

Hirakawa, K. , K. Hirakawa and T. Hashimoto

(1960) . Magnetic properties of potassium

iron group fluorides KMF3 , J. Phys . Soc.

Japan 15, 2063-8.

Knox, K. (1961) .Perovskite-like fluorides.

I, Structures of KMnFg , KFeFg , KC0F3 , KNiFg

and KZnFg . Crystal field effects in the

series and in KCrFg and KCuFg , Acta

Cryst. 14, 583-585.

Martin, R.L., R.S.Nyholm and N.C.Stephenson

(1956) . Antiferromagnetism in complex

fluorides with perovskite structures,

Chem. Ind. (London). 1956, 83-85.

Okazaki, A. ,Y. Suemune and T.Fuchikami ( 1959)

The crystal structures of KMnFs , KFeFa

,

KC0F3 , KNiFg and KCuFg . J. Phys. Soc,

Japan 14, 1823-4.

Okazaki, A. , and Y. Suemune (1961). The crystal structures of KMnFg , KFeFg , KC0F3

,

KNiFg and KCuFg above and below their

Neel temperatures. J. Phys. Soc. Japan

16, 671-675.

Lattice constants

Okazaki et al. [1959]-

Martin et al. [1960]--

Hirakawa et al. [1960]

Okazaki et al. [1961]-

Knox [1961]

NBS, sample at 25"C

Density

(calculated) 3.606 g/cm^ at 25° C.

Reference intensity

I/I

corundum 2.7,

39
Potassium Magnesium Sulfate (langbeinite), K2Mg2(S04)3 (cubic)

Sample source The sample was prepared at NBS by melting Ka SO4 and MgS04 together at about

1000 "C. The material was somewhat hygroscopic.

Major impurities

0.001-0.01% each: Cs, Rb, Si, and Sr.

0.01 -0.1 % each: Ca, Fe, and Na.

Color

Colorless

Optical data

Isotropic; N=1.535.

Structure

Determined by Zemann and Zemann [1957].

There are many other double sulfates of

the langbeinite-type [Gattow and Zemann

1958]

Space group

T*-P2i 3 (198) , Z=4

1931]

[Gossner and Koch,

Lattice constants

a(A)

9.98*

9.920

9.9211

+.0001

*from kX

Density

(calculated) 2.823 g/cm^ at 25° C.

Reference intensity

I/I 2.5.

Additional patterns

l.PDF card 17-740 [Morey et al. , 1964]

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 L

i /t/c ( 20C)

5.730 4 111 15 .45

4.051 25 211 21.92

3.505 2 220 25.39

z991z X 26.93

J X u 28.43

9 QC19 xo J X X 29. 84

2.864 2 222 31. 20

2.753 15 320 32 .49

z • OO X J Z X 33.78

0 Aft 1 0z Ann 36. 18

Z • J A. 1 n 37.36

2.338 1 411 38.47

2.277 4 331 39,55

z . z z w 9 490 40.60

^ a J. U J 4 421 41.69

9 1 1 9 42,71

2.025 7 422 44. 71

1. 984 2 430 45 , 70

X . Zy** \J q Sin 46,63

X . Z7 1 R 1

X X 47,58

1 R4 9 ft 520 49 . 43

1.811 2 521 50 ,33

1.727 6 522 52 , 96

1 709 9 ^ J vy 53,81

1,677 1 531 54,68

X • 0 3 J X 55,55

1.631 3 610 56,35

1.609 12 611 57,19

X • J D ^ J D Z W 58. 80

X . J**^ A. A9OZ 1X 59. 62

X . D J X Z DH X 60 , 42

1.513 1 533 61 . 19

1.496 1 622 61 . 99

1 47 CI X , ft / ^ D D J U 62.7 6

X , ft D J J fiT 0 J X1 63 . 53

1X AAA ****** 65 , 0 6

1.417 2 63 2 65 . 85

1,403 1 710 66 . 58

1.376 2 640 DO . U / 1.363 1 720 68. 83

1.350 4 721 69.56

1.326 2 642 71.05

1.314 1 722 71.77

1.302 1 730 72.51

1. 292 3 731 73.20

40
o d(A) / hkl 2e(°)

1,271 2 650 74.62

1,2597 2 732 75.39

1,2303 1 810 77.52

1,2213 1 811 78.20

1,2121 1 733 78,91

1,2033 1 820 79. 60

1,1943 2 821 80.3 2 1, 1859 1 653 81, 01

1, 1695 1 822 82.39

1. 1609 <1 830 83. 13

1. 1532 2 831 83,81

1, 1458 1 751 84.48

1,1310 <1 83 2 85.85

1,1233 1 752 86. 58

1, 1094 <1 840 87 . 94

1. 1024 1 841 88. 65

1,0958 1 910 89.32

1,0890 2 911 90.03

1,0826 2 842 90,71

1.0760 1 920 91,43

1.0700 1 921 92.09

1.0577 1 664 93,48

1.0516 2 922 94,19

1.0458 1 930 94,87

1.0400 <1 931 95,57

1,0290 1 852 96,93

1.0232 1 93 2 97,67

1,0127 1 844 99.03

1,0073 1 940 99. 76

1,0020 1 941 100.47

0,9971 1 933 101. 15

,9921 1 10.0-0 101,86

.9872 1 10-1-0 102.57

.9824 1 10-1-1 103.27

.9728 1 10-2-0 104.71

,9682 2 10-2-1 105.41

,9637 1 950 106. 12

.9591 1 951 106. 86

.9546 1 10-2-2 107.58

.9503 1 10-3-0 108.30

.9458 1 10-3-1 109.05

.9333 <1 10-3-2 111.23

.9291 1 871 111.99

.9251 <1 953 112 . 73

.9211 1 10-4-0 113.48

References

Gattow,G. and J.Zemann (1958) .tiber Doppelsulfate vom Langbeinit-Typ, AsBI* (SO4 )3

,

, K2Mg2(S04)3 (cubic) - continued

0 d(A) / hkl 26(0)

.9172 1 10-4-1 114.24

.9131 <1 10-3-3 115.03

. 9058 1 10.4-2 116.51

.9019 <1 962 117.31

, 8981 1 11-1.0 118.10

.8947 <1 11. 1.

1

118.84

.8874 1 11.2.0 120.45

.883 8 1 11-2.

1

121.28

. 8769 1 880 122.89

.8735 2 11-2-2 123.72

.8702 <1 11.3.0 124.55

.8668 1 11.3.

1

125.40

.8635 <1 10.4.4 126. 25

.8603 <1 9-64 127.09

.8570 2 11-3-2 127.99

.8507 <1 10-6-0 129.75

.8476 1 11-4-0 130.66

.8445 1 11-4-1 131.60

.8415 1 11-3-3 132.50

.8355 1 11-4-2 134.41

.8326 1 965 135.38

.8239 1 12-1-0 13 8.43

.8210 1 12-1-1 139.49

.8183 1 11-5-1 140.54

. 8155 1 12-2-0 141.63

.8127 1 12.2.

1

142.78

.8101 1 11-5-2 143 . 92

.8047 1 12-2-2 146.34

.8021 1 12-3.0 147. 61

.7995 1 12.3.1 148.92

.7969 1 11-5-3 150.29

0 T 0 -

'5 XZ •

- 0 J • z ICO 90

.7892 1 11-6-

1

154.82

,7843 1 12-4-0 158.30

.7818 1 12-4-1 160.24

.7794 1 12.3.3 162.37

Z. Anorg. Allgem. Chem. 293, 233-240.

Gossner, B. and I.Koch (1931) .liber das Kristallgitter von Langbeinit, Northupit und

Hanksit, Z. Krist . 80, 455-464.

Morey, G. W., J. J. Rowe and R.O. Fournier

(1964). The system KaMgs (804)3 (langbeinite) - KsCas (SO4 )3 (calcium-langbeinite)

,

J. Inorg. Nucl, Chem. 26, 53-58.

Zemann,A. , and J. Zemann (1957). Die Kristallstruktur von Langbeinit, KsMgs (SO* )3

Acta Cryst. 10, 409-413.

41
Potassium Magnesium Trifluoride, KMgFg (cubic)

Sample source 0 The sample was made at NBS by adding HF Internal standard W, a = 3.16504 A

to a slurry of Ks CO3 and MgCOg and evap- CuKa, \ = 1.5405 A; temp. 25

orating to dryness. The pattern was

sharpened by heating the sample to the d (A) / hkl

melting point.

3 .988 2 100 22.27

Major impurities 2 . 819 94 110 31.71

0.001-0,01% each: Al, Ca, Pt, Rb and Sr. 2.302 83 111 39.09

1.9943 100 200 45.44

0.01 -0,1 % each: Na-, Pb and Si. 1.7842 1 210 51.15

1. 6284 24 211 56.46

Color

Colorless 1.4101 36 220 66.22

1.3298 <1 300 70.79

Optical data 1.2614 6 310 75.27

Isotropic N = 1.404 1. 2028 8 311 79.64

1.1516 8 222 oj . y b

Structure 1.0661 8 321 92.52

Cubic perovskite [van Arkel, 1925] . KMgFs

has been reported to be monoclinic and 0.9972 2 400 101. 14

to have a doubled cell. [Ludekens and .9403 2 330 110.00

wtrJ-Cii/ ^VOz.\ aliKJL !_ iNaray~*oZciDO / / j . WG .9150 2 331 114.66

found no evidence to confirm the double .8920 10 420 119.43

cell. .8505 1 332 129.83

Space group .8142 3 422 142.16

Oh-Pm3m (221). Z=l. [van Arkel, 1925]

.7823 4 510 159.89

Lattice constants

van Arkel [1925]

Brisi [1952]

de Vries and Roy [1953]

Klasens et al. [1953] —

Remy and Hansen [1956]-

NBS, sample at 25°C

Density

(calculated) 3.150 g/cm^ at 25° C.

Reference intensity

I/I

ndum 0.9

Additional patterns

1 . PDF card 3-1060 [Remy and Hansen, 1956]

2. Brisi (1952)

References

Brisi, C. (1952) .Sulla struttura cristallina

dei composti KCdPa e KCaFa , Ann.Chim.

Rome 42,3 56.

deVries, R. C. and R. Roy (1953). Fluoride

models for oxide systems of dielectric

interest, J. Am. Chem. Soc. 75, 2479.

Klasens, H. A., P. Zalm and F. O. Huysman

(1953). The manganese emission in ABF3

compounds. Philips Res. Rept. 8,441.

Ludekens, W. L. and A. J. E. Welch (1952).

Reactions between metal oxides and fluorides; some new double- fluoride structures of type ABF3 , Acta Cryst. 5, 841.

Naray-Szabo, I. (1947). The perovskite

structure family, Muegyet. Kozlemen. No.

1, 30.

Remy, H. and F. Hansen (1956). Rontgenographische Untersuchung des Systems

KF-MgFs , Z.Anorg. Allgem. Chem, 283, 277.

van Arkel, A. E. (1925) . Kristalstructuur

van magnesium fluoride en andere verbindingen van hetzelfde kristaltype,

Physica, 5, 166.

42
Potassium Manganese(ll) Sulfate (manganolangbeinite), K2Mn2(S04)3 (cubic)

Sample source Prepared at NBS by melting Kg SO^ and

MnS04 together and annealing at about

500° for 15 hours.

Major impurities

0.001-0.01% each: Al,Ca,Fe,Mg,Mo,Rb,Sb,Sn

Color

Pale pink.

Optical data

IsotropiCo N=1.576.

Space group

T*-P2i3 (198), Z=4 [Bellanca, 1947]

Structure

Isostructural with KgMgs (SO^ ) 3 , langbeinite. [Gattow and Zemann, 1958]

Lattice constants

a(A)

Bellanca F 19471 10.034*

Gattow and Zemann [1958] 10. 114

±.004

NBS, sample at 25°C 10.1143

+.0001

*from kX

Density

(calculated) 3.057 g/cm^ at 25° C.

Reference intensity

. = 3.1 corundum

Additional patterns

1. PDF 18-103 6, Kohler and Franke, Mineralogisches Institut, Freie Universitat

Berlin, Germany.

2. Bellanca, [1947].

References

Bellanca, A. (1947) . Sulla simmetria della

manganolangbeinite, Atti Accad. Nazi.

Lincei Rend. Classe Sci. Pis. Mat. Nat.

2, 451-455.

Gattow, G. and J. Zemann (1958) .iiber Doppelsulfate vom Langbeinit-typ, A2Bi*(S04)3,

Z. Anorg. Allgem. Chem. 293, 233-40.

0 Internal standard Ag, a = 4.08625 A

CuKaj ^ = 1.5405 A; temp. 25 °C

0 d(A) / hkl 26(0)

5 . 83 9 10 111 15 . 16

4.521 8 210 19.62

4.128 14 211 21.51

3.372 4 221 26.41

3 .198 100 310 27.87

3 .047 17 311 29.29

2.806 8 320 31.87

2.702 50 321 33 .12

2.453 4 410 3 6. 60

2.385 <2 411 37 .69

2.320 2 331 38.78

2.260 <2 420 39.85

2.208 2 421 40.84

2.156 3 332 41.86

2.064 13 422 43 .82

2.024 2 430 44.74

1.984 13 510 45.69

1.947 3 511 46.62

1.87 8 8 520 48.42

1.846 2 521 49.31

1. 761 7 522 51.89

1.734 3 530 52.74

1.7092 <2 531 53 .57

1.6854 <2 600 54 .39

1.6625 2 610 55.20

1.6401 15 611 56.02

1.5994 5 620 57. 58

1.5793 4 621 58.38

1.5606 4 541 59 . 15

1.5421 <2 533 59.93

1.5249 <2 622 60.68

1.5076 4 63 0 61.46

1.4912 4 631 62.20

1.4596 2 444 63 .70

1.4451 2 632 64.42

1.4302 2 710 65.17

1.4165 <2 711 65.88

1.4029 <2 640 66.60

1.3892 2 720 67.35

1.3765 4 721 68.05

I/I
Potassium Manganese(ll) Sulfate (manganolangbeinite), KjMn^lSOJj (cubic) - continued

d(A) I hkl 20(°)

1.3517 2 642 69.48

1.3397 2 722 70. 19

1.3277 <2 730 70.92

1.3168 2 731 71. 60

1.2949 <2 650 73 .00

1.2843 <2 732 73 .70

1.2646 <2 800 75.05

1.2547 <2 810 75.74

1.2453 <2 811 76.42

1.2360 <2 733 77.10

1.2265 <2 820 77 .81

1.2177 <2 821 78.48

1.2090 <2 653 79.15

1.1920 2 822 80.51

1.1835 <2 830 81.21

1.1757 3 831 81.86

1.1682 <2 751 82.50

1.1530 <2 83 2 83 .83

1. 1455 <2 752 84.51

1„1312 <2 840 85.83

1.1238 <2 841 86. 53

1.1170 <2 910 87.19

1.1101 2 911 87.87

1.1034 <2 84 2 88.54

1.0973 <2 920 89.17

lo0905 2 921 89.87

1.0785 <2 664 91.15

1.0720 3 922 91.86

1.0660 2 930 92.53

1.0603 <2 931 93 . 18

1.0490 <2 852 94.49

1.0431 <2 932 95.19

1.0323 <2 844 96.52

1.0268 <2 940 97.20

1.0218 2 941 97.85

1.0164 <2 933 98 . 54

1.0116 <2 lO'O-O 99 . 18

1.0064 2 10' 1*0 99 . 87

1.0016 <2 10 • 1-

100 .53

0.9917 <2 10. 2.0 101,92

.9870 2 10 • 2 • 1 102.60

.9825 <2 950 103.25

.9777 <2 951 103 .97

.9733 <2 10.2.2 104 . 63

.9687 <2 10 .3 .0 105.33

d(A) / 20(°)

,9643 <2 10.3-1 106.02

.9515 <2 10.3 .2 108.10

.9472 <2 871 108.81

,943 2 <2 953 109.50

.9390 <2 10-4-0 110. 23

.9351 <2 10-4-1 110.92

.9311 <2 10.3.3 111.63

.9234 <2 10.4.2 113.06

.9197 <2 962 113.76

.9158 <2 11.1.0 114.51

.9119 <2 11-1-1 115.27

.9047 <2 11-2-0 116.72

.9011 <2 11-2-1 117.47

.8940 <2 880 118.98

.8906 <2 11-2-2 119.73

.8872 <2 11-3-0 120.50

.8839 <2 11-3-1 121.26

.8802 <2 10-4-4 122.10

.8769 <2 964 122.90

.8739 2 11-3-2 123 .63

.8673 <2 10-6-0 125.27

.8642 <2 11-4-0 126.08

.8610 <2 11-4-1 126.92

.8579 <2 11-3-3 127.76

.8518 <2 11-4-2 129.46

.8488 <2 965 130.30

.8428 <2 12-0-0 132 .09

.8399 <2 12-1-0 132.99

.8371 <2 12-1-1 133.90

,8343 <2 11-5-1 134.81

.8314 <2 12-2-0 135 . 78

.8286 <2 12-2-1 136.74

.8258 <2 11-5-2 137 .72

.8203 <2 12-2-2 139.75

,8177 <2 12-3 = 0 140.77

.8150 <2 12.3.1 141.85

.8124 <2 11-5-3 142.91

.8072 <2 12-3-2 145.19

.804 7 <2 11-6-1 146.37

.7996 <2 12-4-0 148.86

.7971 2 12-4-1 150.19

.7922 <2 991 152.96

.7898 <2 12-4-2 154 .45

.7874 <2 10-8-1 156.07

, 7850 2 11.5.3 157.76
Potassium Manganese(ll) Trifluoride, KMnFj (cubic)

Sample source The sample was precipitated at NBS byadding MnCls solution to an excess of KF

in solution.

Major impurities

0.001-0.01% each:si,Al,Ca,Co,Cu,Fe,Mg.

0.01 -0.1 % each:Na.

Color

Very pale pink.

Optical data

lfc;1.45. The sample was too fine-grained

for accurate index measurements.

Structure

Cubic perovskite [Simanov, Batsanova , and

Kovba, 1957]

Space group

Oi-Pm3m (221), Z=l [Knox, 1961].

Lattice constants

a(A)

Simanov et al. (1957) 4.186

Hoppe et al. (1961) 4.19

Knox (1961) 4.182

Okazaki and Suemune (1961) 4.190

NBS, sample at 25 °C 4.1890

±.0001

Density

(calculated) 3.412g/cm3 at 25° C.

Reference intensity

corundum , =3.1.

Polymorphism

Below about -90 °C,KMnF3 is a tetragonal

distorted perovskite. [Okazaki & Suemune

1961]

Internal standard W, a = 3.16504 A

CuKaj K = 1.5405 A; temp. 25 °C

o a (A) I nkl 29(°)

4. 191 27 100 21. 18

2.962 100 110 30.14

2.419 13 111 37 . 13

2 .096 64 200 43 . 13

1.874 9 210 48. 54

1.711 30 211 53.52

1.4813 24 220 62. 66

1.3966 3 300 66.94

1. 3246 11 310 71.11

1 . 2630 1 3ir 75 . 16

1 . 2091 6 222 79 . 14

1. 1619 1 320 83.05

1.1196 8 321 86.94

1.0472 3 400 94 . 71

1 .0159 2 410 98 . 61

4 411 102 . 55

.9610 1 331 106.55

.9366 6 420 110.64

.9142 1 421 114. 82

.8931 3 332 119. 18

.8551 4 422 128. 53

.8377 1 500 133 . 68

.8215 4 510 139.31

References

Hoppe, R.,W. Liebe and W.Dahne (1961) .Uber

Fluoromanganate der Alkalimetalle, Z.

Anorg. Allgem. Chem. 307,276.

Knox, K. (1961) . Perovskite-like fluorides.

I. Structures of KMnFg , KFeFg , KC0F3 , KNiFg

and KZnFg . Crystal field effects in the

series and in KCrFg & KCuFg .Acta Cryst.

14, 583.

Okazaki, A. and Y. Suemune (1961) .The Crystal structure of KMnFg , KFeFg , KC0F3 , KNiFg

and KCuFg above and below their Neel

temperatures, J. Phys . Soc. Japan 16,

No. 4, 671-5.

Simanov, Yu. P., L. P. Batsanova, and L.M.

Kovba (1957) .X-ray investigation of the

binary fluorides of bivalent manganese.

Russ. J.Inorg. Chem. 2 , 207 . (Trans . from

Zh. Neorgan. Khim. 2, 2410-5).

I/I

45
Potassium Nickel Sulfate, K2Ni2(S04)3 (cubic)

Sample source Prepared at NBS by heating a mixture of

NiS04 and K2S04 at 750 °C, The sample

was cooled slowly, ground, and annealed

at 550 °C for half an hour.

Major impurities

0.001-0.01% each:Al,Ca,Fe,Mg,Na,Rb,andSi.

Color

light greenish yellow

Optical data

Isotropic. N=1.620

Structure

Isostructural with Ks Mgs (SO4 ) 3 , langbeinite. [Gattow and Zemann, 1958] .

Space group

T'-P2i3 (198), Z=4 [ibid.]

Lattice constants

a(A)

Gattow and Zemann [1958] 9.83 8

±.008

NBS, sample at 25"C 9.843 6

±. 0001

Density

(calculated) 3.369 g/cm^ at 25° C.

Reference intensity

I/I

corundun 2.1.

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 °C

0 a (A) / hkl 20(0)

5 . 69 14 111 15 , 55

4.407 11 210 20. 13

4.020 10 211 22.09

3 . 284 4 221 27 . 13

3 . 114 100 3 10 28. 64

2 . 968 16 311 30 . 08

2.845 1 222 31.42

2. 732 9 320 32.75

2.631 57 321 34 . 04

2 . 388 6 410 37 . 63

2.322 1 411 38. 74

2. 259 3 331 39.87

2.201 2 420 40.96

2 . 149 3 421 42.01

2 . 099 4 332 43 . 05

2 . 008 15 422 45. 12

1.969 4 430 46.05

1.931 14 510 47.02

1 . 895 3 511 47. 97

1 . 828 10 520 49. 84

1 . 798 2 521 50 . 74

1.714 9 522 53.41

1. 688 3 530 54.28

1. 664 1 531 55 . 14

1 . 641 1 600 55 . 98

1 . 618 4 610 56. 84

1. 5968 17 611 57. 68

1.5565 5 620 59.32

1. 5375 5 621 60 . 13

1. 5190 5 541 60 . 94

1 . 5010 1 533 61. 75

1.4841 1 622 62.53

1.4673 7 630 63.33

1.4513 6 6364 . 11

1.4211 2 444 65. 64

1.4063 3 632 66.42

X 0 y ^ X A70 / . X1 Qy 1.3780 1 711 67.97

1.3651 2 640 68. 70

1.3518 3 720 69.47

1.3396 4 721 70. 20

1.3153 2 642 71. 69

1. 3037 2 722 72.43

1.2926 1 730 73.15

1. 2815 4 731 73 .89

46
Potassium Nickel Sulfate, K2Ni2(S04)3 (cubic) - continued

o Internal standard W, a = 3.16504 A Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 °C CuKaj \ = 1.5405 A; temp. 25 °C

o a (A) r/ 2d(°)

o

/i /A 1 CI (/ij r1

i . 2 d(J4 2

c 650 75.34 1

J. X11^X 0 , 49*i Z 1. 2501 2 732 76,07 .8985 2 10.4.2 118.02

1.2209 2 810 78. 23 .8950 1 962 118.78

X oX X 78, 95 . 8912 2 11.1.0 1X X1 Q7 fil . Q X

1X"TOO 79, 66 . oO / \J 111 J- X 1 . J- . X ion 4

1

X z U . *i X

T 1 Q "3 "7 Z Don b2U 80, 3 7 X X . Z . VJ X19z Z9 . nu 7/ 1. 1852 1 821 81, 07 . 8769 1 11.2.1 122.90

1.1765 1 653 81, 79 .8702 1 880 124.54

L . XdUU oz D O O 83 , 21 . o u u / o X11X . z9 . 9z 19=; X A'i. Z O . *i J

T TROT X oJ u 83 , 91 . O W J ^ 1 11X X . 0 . n1^ Toe 00 X z 0 . J Z

1 . 144o J OJ 1 84, 62 « o U V-* «-/ oz 1X X1 1 . J . X X197Z / . X17/ 1. 13 68 2 751 85,31 .8568 1 10.4,4 128.05

1.1214 1 83 2 86,76 .8536 1 964 128.93

X • X X^D "7 R O / 3 Z 87,43 0 X1 1X . J . 9z X1 Z0 Q^ Of^ • 0 D

X . J O £. Oft X 89, 53 1 1 n ft n 1X 1 7 1 ,3 X . /X

X . Uo /J X y xu 90,21 R4 1 n 1X X11X . /in *i . U 1 "5 0 c: X J Z . oD

1.0805 2 911 90,94 . 83 80 2 11.4.

1

133.62

1.0740 1 842 91, 64 , 8349 1 11.3.3 134. 60

1 . Ud / / X Q o n y 2U 92 . 34 . 8290 1X X X . 4 . z X J (D . bu

i . Uol4 Z. y 2 X 93,05 . O Z O X

1

J. y D 0

1 "3 "7 1 X 0 / , 0 X

1 . U4yj X CCA bD4 94,45 . Rom O Z U J

1X 1xz0 , n n u ,

u

X J y . / 0

1.0433 3 922 95, 17 .8175 2 12.1.0 140,85

1.0376 1 930 95,86 ,8146 2 12,1,1 142.00

X , u J xy X QO 1 y J X 96, 56 , HIO X 1X Q^ z X11X R 1

. D . X X4J 1 A 0 . XJ10

1 n on Q o Q c: T 97,87 , OU ^ X

1X loon xz . Z . u 1X44/I >1 0/1

. J4

X . U Xd4 z y J 2 98, 68 ,8064 z xz10 0 1. Z . X X4 3 . Ob

1.0048 1 844 100 , 10 , 8037 1 11.5.2 146.81

0.9995 1 940 100 , 82 , 7984 1 12.2.2 149.47

. yy44 X

Qyl 1 y4 X 101, 54 , 7958 J xz1 9 n . J , U 1xoun Q Q , 00

Q OO /I X

o o o y J J 102, 25 ,7932 X 1xz9 0 1

, J , X XDICO 0 c 2 , J b

. yo44 X XU . U .

U

102,97 .7907 z 11XX c: 0 . D .

J

1XDoc 0 Q 1

. yx

. y / y 3 inXU 1 n . X .

U

103.70 , 7856 z Too 0 xz . J , 2 XDT C "7 00 / . J

2

. y / 4 / z XUinn 1

. X .

X

104.42 , 7831 z 11X X A 1

• D , X ICQ xo y 09 . z z

. 9653 1 10 . 2 . 0 105.87

. 9607 2 10 . 2 .

1

106, 60

2 o c n y oU 107 .35

• ^ ^ A- ^ X 9S ] 108,09

.9472 1 10.2.2 108,82

.9428 1 10 . 3 . 0 109 , 57

.9386 1 10 . 3 . 1 110,30

References

.9259 1 10.3.

2

112, 58

.9218 1 871 113,35 Gattow, G. and J,Zemann (1958) .Uber Doppel-

.9178 1 953 114, 11 sulfate vom Langbeinit-Typ, AaBs"^ (SO4 )3 , .9139 1 10.4.0 114, 88 Z . Anorg , Allgem, Chem. 293, 233-240.

.9101 2 10,4.

1

115.64

47
Potassium Sodium Sulfate, K g^Naj 33SO4 (trigonal)

Sample source The sample was prepared at NBS by melting K2S04 and Nas SO4 in stoichiometric

proportions

Major impurities

0.001-0.01% each: Al, and Ba

0.1 -1.0 % each: Ca .

Color

Colorless

Optical data

Uniaxial (+) , Nq=1.488, Ng=1.499.

Structure

There is a range of isomorphous phases

from about KjNa (804)2 to KNag (SO4 )2

[Bredig, 1942] . The structure of the se- ries was determined by Gossner [1928]

Space group

D^d-P3ml (164), Z=2. [Gossner , 1928]

,

Lattice constants

a(A) c(A)

NBS, sample at 25 "C 5.5515 7.0434

+.0003 +0OOO4

Density

(calculated) 2.489 g/cm^ at 25° C.

Internal standard W, a = 3.16504 A

CuKaj K = 1.5405 A; temp. 25 °C

d(A) I hkl 20(0)

4 .802 7 100 18.46

3 . 967 64 101 22.39

3 .521 17 002 25,27

2.841 80 102 31.46

2.778 100 110 32,20

2.584 10 111 34,69

2 .404 7 200 37 ,37

2.349 12 003 38.29

2 .276 7 201 39.57

2.181 <1 112 41.37

2.110 4 103 42.83

1.985 45 202 45 . 66

1.817 <1 210 50.16

1.793 3 113 50.88

1.761 6 004, 211 51.88

1.680 1 203 54.58

1 . 654 1 104 55 . 52

1.615 18 212 56.96

1.603 15 300 57,44

1,563 1 301 59,06

1.486 11 114 62.42

1.458 2 302 63 . 78

1.437 2 213 64.84

1.420 4 204 65.68

1.408 1 005 66.31

1.388 10 220 67.41

1.351 3 105 69 . 50

1.334 <1 310 70.56

1.323 <1 303 71.21

1.310 1 311 72 .03

1.291 <1 222 73 .28

1.2643 2 214 75.07

1.2566 <1 115 75.61

1.24 69 6 312 76.30

1.2150 <1 205 78.68

1.1948 1 223 80.28

1. 1852 4 304,401 81.07

1.1742 <1 006 81.99

1. 1593 2 313 83 .27

1. 1405 4 106 84 .96

48
Potassium Sodium Sulfate, K g^Naj 33SO4 (trigonal) - continued

0 Internal standard W, a = 3.16504 A

CuKai \ = 1.5405 A; temp. 25 °C

0 d (A) / hkl 26(°)

^ 1

"5 1

4 402 85 . 25

1.1132 2 215 87.56

1.1030 <1 320 88.58

J. • Uoy / 4 ^ ^'-i 1 3 X. 89 . 96

<1 116 90 . 84

X • u / uu < ±

/] n "3 Q 0 no 1.0628 <1 314 92.89

1.0544 3 206 93 .84

X. . UD<d4 4

"J O O Q yl HQ y4 . uy

T n /I Q ± . Uftyj D y4 . 4 D

1

UUdd <i lUU . UU

0.9985 <1 323 100.96

.9926 <1 404 101.79

.9861 3 216 102.73

.9682 1 315 105.41

.9348 <1 3 24 110.97

.9276 1 502 112 . 28

.9252 1 330 112 . 70

.9012 2 414,421 117.45

.8799 2 422 122 . 18

References

Bredig,M.A. (1942) . Isomorphism and allotropY in compounds of the type A2XO4, J.

Phys. Chem. 46, 754-764,

Gossner,B. (1928) . Ueber die Kristallstruktur von Glaserit und Kaliumsulpat , Neues

Jahrb. Mineral. B-Bd 57A, 89-116.

49
Potassium Sodium Sulfate, KNaSO^ (trigonal)

Sample source The sample was prepared at NBS by melting equimolar proportions of Nag SO^ and

Ks SO4 then annealing overnight at 500°C,

Major impurities

0.001-0.01% each: Al,Be

0.1 -1.0 % each: ca

Color

Colorless

Optical data

Uniaxial (-I-) , N =1.490, N =1.494.

o e

Structure

Described by Bellanca ,

( 1943 ) . An isomorphous series exists from KjNa (304)2 to

KNBa (SO4 )2 .

Space group

D^d-P3ml (164), Z=2 [ibid.].

Lattice constants

a(A) C(A)

Hilmy (1953) 5.64 7.27

Bellanca (1943)* 5.654 7.28

NBS, sample at 25 °C 5.6075 7 .1781

±.0001 ±o0002

*From kX. Natural mineral,

composition uncertain.

Density

(calculated) 2.687 g/cm^ at 25° C.

Reference intensity

I/I , = 1.6

0 Internal standard W, a = 3.16504 A

CuKaj K = 1.5405 A; temp. 25 °C

0 d(A) / hkl 20(°)

4.857 9 100 18.25

4.026 49 101 22.06

3 .593 19 002 24.76

2.889 71 102 J u . y J 2.804 100 110 31.89

2.614 6 111 34.28

2 .431 7 200 3 6.95

2.393 13 003 37.55

2.302 10 201

2.147 3 103 42.05

2o011 42 202 45.05

1.83 5 2 210 49 . 64

1.8198 4 113 50.08

1.7944 4 004 5U . d4

1.7784 1 211 51.33

1.7039 2 203 53 .75

1.6831 2 104 54.47

1.6340 11 212 56.25

1.6184 11 300 C ^ OA

1.5791 2 301 58.39

1.5116 7 114 61.27

1.4758 1 302 62.92

1.4562 1 213 63.87

1.4431 4 204 Oft . dZ

1.4018 8 220 66.66

1.3767 2 105 68.04

1.3409 1 303 70.12

1.3238 1 311 71.16

1.3059 2 222

1.2833 2 214 73 .77

1.2611 4 312 75.29

1.2360 1 205 77.10

1.2138 1 400 78.78

1.2095 1 223 79.11

1.2019 2 304 79.71

1.1737 1 313 82.03

1.1616 1 106 83 .07

1.1501 2 402 84.09

1.1310 2 215 85.85

1.1050 2 224 88.38

50
Potassium Sodium Sulfate, KNaSO^ (trigonal) - continued

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 °C

d(A) / hkl 20(°)

1,0771 2 314 91.30

1»0732 3 206 91.73

1 o 0d41 3 322 92.75

1.0598 4 410 93.23

1.0482 1 411 94.58

1.0163 <1 412 98,56

1.0102 1 323 99,37

1 . UU56 1 404 99.98

1.0024 2 216 100.42

0.9824 1 315 103.27

.9691 1 413 105.27

.9464 1 324 108.95

. 944 6 1 207 109.26

.9376 2 502 110.48

.9349 2 330 110.97

.9271 1 405,331 112.37

.9124 2 414 115.18

. 8950 1 217 118.76

.8944 1 316 118.85

.8891 2 422 120.06

.8801 2 325 122.14

Z lib 128. 68

.8522 2 406 129.32

.847 5 <1 512 130.70

.8416 1 208 132,46

,8289 1 334 13 6,64

.8171 1 424 141.02

,8094 1 600 144.23

.8061 1 218 145.70

Additional patterns

1. PDF card 6-0461 [Winchell et al., 1951]*

2. PDF card 6-0429 [Winchell et al., 1951]*

3. Bredig [1942]*

* Composition indefinite.

References

Bellanca,A. , (1943) . Sulla struttura della

aftitalite, Periodico Mineral . (Rome) 14,

67-98.

Bredig,M.A., (1942). Isomorphism and allotropy in compounds of the type AgXO^ , J.

Phys .Chem.46, 754-764.

Hilmy,M.E., (1953). Structural crystallographic relation between sodium sulfate

and potassium sulfate and some other

synthetic sulfate minerals, Am. Mineralogist 38,118-135.

Winchell, H. and R.J.Benoit, (1951). Taylorite, mascagnite, aphthitalite, lecontite,

and oxammite from guano. Am. Mineralogist

36,590-602.

51
Potassium Sodium Sulfate (aphthitalite), K3Na(S04)2 (trigonal)

Sample source The sample was prepared at NBS by melting Kg SO4 and Na2S04 together in stoichiometric proportions and annealing the

product at 700 °C for 72 hours. The material is also called glaserite.

Major impurities

0.001-0,01% each: Al, and Ba

0.01 -0.1 % each: ca

Color

Colorless.

Optical data

Uniaxial (+) NQ=1.494,Ng=1.499.

Structure

Determined by Gossner [1928] . There is a range of isomorphous phases from about

K3Na(S04)a to KNag (804)2 [Bredig, 1942].

Space group

D^d-P3ml (164), Z=l [Gossner, 1928]

Lattice constants

a(A) C(A)

Gossner (1928) 5.65 7.3

Hilmy (1953) 5.66 7.33

Yanat'eva et al. (1963)5.662 7 .297

NBS, sample at 25 °C 5.6769 7.3331

±.0003 ±.0004

Density

(calculated) 2.697 g/cm^ at 25° C.

Reference intensity

^^ corundum ~ 1 o 6

Internal standard W, a = 3.16504 A

CuKaj K = 1.5405 A; temp. 25

0 d (A) / 20(0)

1 . i2. DUX 12 .08

4.921 9 100 18.01

4.088 28 101 21.72

J • 000 Z X onu u z9 24.26

/ D xu z 30.38

xu1 nou Tin 31.48

2.646 3 111 33 . 85

2.458 10 200 36.52

Z • ft^ J X 0 no 36.76

z • J J u X'i 1 A ZU9n 1X 38.61

z • ±oy J xu J 41.20

2.042 44 202 44.33

1.852 5 113 49.14

1 Q "3 "3 A 49.70

1 "7 "5 "3 z 9 n "5 Z U J 52.79

± 0 / ± / 0z XL/ft 53 .30

1.657 11 212 55.41

1.63 8 9 300 56.09

X 0 oUU z J U X 57.57

1 C A c\ 0 X. X4 60.01

X J Uz 61.95

1.479 2 213 62.78

1.469 5 204 63 .24

1 . 4 0 0 / UU D 63 .36

1 0 4±94 zzU 9 9 n 65.73

1 .4054 A4 XU D 66.47

1.3608 1 303 68. 95

1.3233 1 222 71 . 19

z 72.36

1 0 "7 Q D 74.14

1 0 C Q Q Z Z U D 75.38

1.2275 2 223 77 0 73

lo2221 2 006,304 78 . 14

i . iyuy X J X J 80.60

i . ±DbJ- X xu D 80.99

1.1654 2 402 82 .74

1.1512 3 215 83 .99

1.1225 2 116, 224 86.66

1.0941 2 206,314 89.50

1.0783 2 322 91.18

1.0729 3 410 91.77

1.0246 1 107 97.48

1.0211 3 216,404 97 .93

0.9637 1 207 106.12

52
Potassium Sodium Sulfate (aphthitalite), K3Na(S04)2 (trigonal) - continued

Additional patterns

1. PDF card 1-0978 [Hanawalt et al.,1938].

2. PDF card 3-0723 [Bredig, 1942] . 3. PDF card 6-0429 [Winchell and Benoit]

.

4. PDF card 6-0461 [Winchell and Benoit]

.

5. Yanat'eva et al. [1963].

References

Bredig,M.A. (1942) . Isomorphism and allotropy in compounds of the type A2XO4, J.

Phys. Chem. 46,7 54-7 64.

Gossner,B. (1928) . Ueber die Kristallstruktur Von Glaserit und Kaliumsulfat , Neues

Jahrb. Mineral. B-Bd 57A, 89-116.

Hanawalt, J.D„, H.W. Rinn, and L.K. Frevel

(1938) . Chemical analysis by x-ray diffraction, Ind. Eng. Chem. Anal. Ed. 10,

457-513

.

Hilmy, Mo E. (1953). Structural crystallographic relation between sodium sulfate

and potassium sulfate and some other

synthetic sulfate minerals. Am. Mineralogist 38,118-135.

Winchell, H. and R.J. Benoit (1951). Taylorite, mascagnite, aphthitalite, lecontite, and oxammite from guano. Am. Mineralogist 36,590-602o

Yanat ' eva,O.K. ,V.T„Orlova, and V.G.Kuznetsov (1963) o The glaserite phase in the

K3 SO4 -Nag SO4 -Hs O system, Russ o J . Inorg

.

Chemo 8, 910-915 (Trans, from Zh. Neorg.

Khim. 8, 1756-1766.)

53
Potassium Zinc Sulfate, \!{2Zn^(S0^)^ (cubic)

Sample source The sample was prepared at NBS by melting KgSO^ and ZnS04 together, grinding

the product and remelting.

Major impurities

0.001-0.01% each: Ca,Cs,Fe,Mg,Rb, andTi.

0.01 -O.i % each: Al.

Color

Colorless

Optical data

Isotropic N=1.592.

Structure

Isostructural with KgMgs (804)3 (langbeinite) [Gattow and Zemann, 1958]

Space group

T''-P2i3 (198), Z=4 [ibid.].

Lattice constants

a(A)

Gattow and Zemann [1958] 9.925

±.006

NBS, sample at 25°C 9.9247

+.0001

Density

(calculated) 3 .376 g/cm^ at 25° C.

Reference intensity

I/I

corundum 1.7

References

Gattow, G. and J. Zemann (1958) .Uber Doppelsulfate vom Langbeinit-Typ, Aa b| (SO4 ) 3 , Z. Anorg. Allgem. Chem. 293, 233-240.

Internal standard Ag, a = 4.08625 A

CuKai 1.5405 A; temp. 25 °C

0 d (A) / hkl 29(°)

5 . 734 15 111 15 .44

4.433 14 210 20.01

4.048 10 211 21.94

3 .307 14 221 26,94

3 . 13 6 100 3 10 28,44

2 . 992 1 A 14 3 11 29o84

2.864 1 222 31,20

2.752 8 320 32.51

2 . 654 55 321 33 . 74

2 .407 3 410 37 o33

2 . 340 1 411 3 8.44

2.277 2 331 3 9.54

2.219 1 420 40.62

2 .165 2 421 41.68

2 . 116 3 332 42.69

2.025 15 422 44 . 7

1.985 4 430 45.66

1.947 13 510 46.62

1 .911 3 511 47 . 55

1 . 843 8 520 49.42

1 . 812 2 521 50 .30

1.754 1 440 52.09

1.728 7 522 52.94

1 . 702 3 530 53 . 82

1 . 678 2 531 54 . 64

1 . 654 1 600 55.51

1.632 2 610 56.33

1.609 12 611 57.19

1. 559 4 620 58«79

1 . 55U 4 521 59.59

1,531 4 541 60,3 9

1.513 1 533 61.20

1.497 1 622 61,95

1,480 5 630 62 . 73

1.464 4 631 63 .51

1.433 2 444 65 p02

1,418 3 632 65 .79

1.404 2 710 66.57

1.3 90 1 711 67.29

1.377 1 640 68.03

1.3 63 5 1 720 68.79

1.3508 2 721 69.53

1.3266 1 642 70.99

1.3149 1 722 71.72

1.3034 1 730 72.45

54
Potassium Zinc Sulfate, K^Zn^iZO^)^ (cubic) - continued

d(A) / hkl 20('')

1.2925 2 731 73.16

1.2708 1 650 74.62

1.2607 2 732 75.32

1.2310 1 810 77.47

1.2217 <1 811 78.17

1.2126 1 733 78.87

1.2037 1 820 79.57

1.1951 1 821 80.26

1.1862 <1 653 80.98

1.1696 1 822 82.38

1.1617 <1 83 0 83 .06

1.1538 2 831 83 .76

1.1461 2 751 84.45

1.1309 <1 832 85.86

1.1237 1 752 86.54

1.1028 <1 841 88.61

1.0958 <1 910 89.32

1.0893 1 911 90 .00

1.0830 1 842 90.67

1.0767 <1 920 91.35

1.0703 <1 921 92.05

1.0580 <1 664 93 .44

1.0520 2 922 94.14

1.0461 2 930 94.83

1.0404 <1 931 95.52

1.0293 1 852 96.89

1.0236 <1 932 97.61

1.0130 <1 844 98.99

1.0079 1 940 99.67

1.0026 1 941 100.3 9

0.9975 <1 933 101.10

.9926 <1 lO'O'O 101.79

.9876 2 10. 1-0 102.51

.9829 <1 lOol-l 103 .19

.9734 <1 10-2"0 104.62

»9684 1 10°2°1 105.38

,9640 1 950 106.08

.9595 1 951 106.79

.9550 1 10 • 2 • 2 107.52

.9508 1 10-3.0 108.22

.9462 <1 10-3-1 108.98

.9336 1 10-3-2 111.18

.9296 <1 871 111.91

.9253 1 953 112.69

.9215 <1 10-4-0 113.41

d(A) / hkl 20(°}

.9175 2 10-4-1 114.18

.9137 1 10-3-3 114.91

.9061 1 10'4'2 116.43

.9024 <1 962 117.21

.8986 <1 11-1-0 117.99

.8949 2 11-1.1 118.79

.8877 1 11-2-0 120.39

.8842 1 11-2-1 121.19

.8771 <1 880 122.84

.8738 1 ll-2'2 123 .65

.8705 <1 11-3-0 124.46

.8671 <1 11-3-1 125.31

.8638 1 10-4-4 126.17

.8606 1 964 127.02

.8574 2 11-3.2 127.88

.8511 <1 10-6-0 129.66

.8479 1 11-4-0 130.59

.8449 <1 11-4.1 131.48

.8417 1 11-3-3 132.44

.8358 <1 11-4-2 134.31

.8328 <1 965 135.32

.8270 <1 12-0-0 137.29

.8241 <1 12-1-0 138.33

.8214 1 12-1-1 139.36

.8186 1 11-5-1 140.43

.8158 <1 12-2-0 141.51

.8131 1 12-2-1 142.63

.8104 <1 11-5-2 143 .78

.8050 <1 12-2-2 146.23

. 8023 1 12-3-0 147,48

.7998 1 12-3-1 148.76

.7971 1 11-5-3 150.17

•7 Q O n J-Z • J • Z ±D J . U / .7896 1 11-6-1 154.58

.7846 <1 12-4-0 158.05

.7821 1 12-4-1 159.99

55
Rhodium Vanadium 1 :3, RhVj (cubic)

Sample source The sample was prepared by R. M, Waterstrat at NBS by arc-melting and it was

annealed at 1100 °C for two weeks.

Major impurities

0.001-0,01% each: Ag,Cu,Ir,Ni, Pb, and Si.

0.01 -0.1 %each:Cr, Fe, and Ti.

Color

Metallic dark grey and opaque.

Structure

A-15 type"e-W" [Greenfield and Beck, 1956]

Space group

Ob-Pm3n, Z=2 [ibid.]

Lattice constants

a(A)

Greenfield and Beck [1956]

NBS , sample at 25 °C 4.7852

±.0001

Internal standard W, a = 3.16504 A

CuKaj K = 1.5405 A; temp. 25 °C

d (A) / hkl 26

3.381 34 110 26 . 34

2 . 393 50 200 37.55

2.141 64 210 42. 18

1.9540 100 211 46.43

1. 6920 6 220 54 . 16

1. 5136 6 310 61 . 18

1 .3819 2 222 67 . 75

1.3267 11 320 70.98

1.2790 42 321 74.06

1. 1964 10 400 80 . 15

1. 1279 4 330 86 . 14

1 . 0700 11 420 92 . 09

1.0443 8 421 95.05

1.0203 9 332 98.04

0.9769 3 422 104.09

.9385 4 510 110.32

.8886 10 520 120. 18

.8736 13 521 123.69

.8458 10 440 131. 20

.8207 3 530 139.62

.7975 12 600 149.95

.7867 3 610 156.54

Density

(calculated) 7 .751g/cm3 25° C.

Reference intensity

I/I ^ .1.8 ' corundum

Additional patterns

1. PDF card 8-339 [Greenfield and Beck, 1956]

References

Greenfield, P. and P. A. Beck, (1956) . Intermediate phases in binary systems of

certain transition elements. Trans. AIME

206, 265-76.

56
Rubidium Cobalt(ll) Trichlori.de, RbCoClj (hexagonal)

Sample source The sample was prepared at NBS by heating co-precipitated RbCl and C0CI2 in a sealed glass tube at 500 °C. The salt is

moderately hygroscopic.

Major impurities

0.001-0.01% each:ca,Cr,Cu,Pe and Sn.

0.01 -0.1 %each:Al,Na and Si.

0.1 -1.0 %each:Cs,K and Ni.

Color

Unground-strong blue; ground-pale blue.

Optical data

Uniaxial (+) , N =1.740, N =1.668

e o

Structure

Determined by Engberg and Soling (1953 )

Isostructura 1 with CsCoClg and other

similar ABX, compounds.

Space group

D|h-P63/mmc (194), Z = 2 [Engberg and

Soling, 1963]

Lattice constants

a(A} C(A)

Engberg and Soling

[1963] 6.999 5.996

NBS, sample at 25 "C 7.0013 6.002

+.0004 ±.001

0 Internal stand? rd W, a = 3.16504 A

CuKai \ = 1.5405 A; temp. 25

0 d (A) / hkl 26

6.066 31 100 14.59

4.269 27 101 20.79

3.502 48 110 25.41

3 .031 15 200

3 . 000 25 002 29.75

2.707 100 201 33 .06

2.292 4 210 39.27

2.134 31 202 42.32

2.022 11 300 44.78

1.901 8 103 47.81

1. 822 11 212 50.02

1.7505 22 220 52.21

1.6811 8 310 54.54

1. 6698 11 203

1.6197 4 311 56.79

1.5122 7 222 61.24

1.5001 5 004 61.79

1.4696 12 401,312 63 .22

1.3911 2 320

1. 3792 1 114 67 .90

1.3534 5 321,402 69.3 8

1.3229 7 410 71.22

1.2923 <1 411 73 .17

1 . 2879 1 313 73 .46

1.2620 2 322 75.23

1.2079 4 403 79.24

1.1670 2 330 82 .60

1.1392 4 224 85.08

1.1254 6 421 86.38

1.0702 2 422 92.06

1.0104 3 600 99.34

Density

(calculated) 3.268g/cm3 at 25° C.

References

Engberg , A . and H . Soling ,( 1963 ) . The crystal

structure of RbCoCla , Acta Cryst . 16 A27

Reference intensity

VI H =4.3

57
Rubidium Nickel (II) Trichloride, RbNiClj (hexagonal)

Sample source The sample was prepared at NBS by heating co-precipitated RbCl and NiClg in a sealed glass tube at 500 "C. The salt is

moderately hygroscopic.

Major impurities

0.001-0.01% each:Al,Ba and Si.

0.01 -0.1 % each:cs.

0,1 -1.0 % each:K and Na.

Color

Unground - Medium reddish brown.

Ground - Brownish orange.

Optical data

Uniaxial positive N =1.693.N =1.796.Weak

o ' e pleochroism with the stronger absorption

perpendicular to c^.

Structure

Isostructural with RbCoClg and similar

ABX3 compounds

Space group

Ds'^h -P63 /mmc (194), Z=2 by analogy with

CsNiCl,

Lattice constants

a(A) C(A)

Allamagny[1960] 6.95 11.777

NBS, sample at 25 °C 6.9534 5.906

±.0004 ±.001

Density

(calculated) 3.365 g/cm^ at 25° C.

Reference intensity

Internal standard W, a = 3.16504 A

CuKa, k = 1.5405 A; temp. 25 °C

0 d (A) I hkl 20(0)

2 2 100 14.71

4.217 17 101 21.05

3.477 42 110 25.60

3.008 10 200 29.67

2.952 15 002 30.25

Z . DO*± 1 nn ^ W J. 2. 276 1 210 39.57

2.123 8 211 42.55

2.109 32 202 42.84

2.0073 9 300 45.13

1.8030 13 212 50.58

1.7384 26 220 52.60

1.6704 6 310 54.92

1.647 2 13 203 55.76

1.6075 5 311 57.26

1.5051 7 400 61.56

1.4984 7 222 61.87

1.4588 12 401 63.74

1.3815 2 320 .n

1.3452 3 321 69.86

1.3416 3 402 70.08

1.3139 7 410 71.78

1.1590 1 105, 330 83.30

1.1174 6 421 87.15

Additional patterns

1. PDF card 16-110 [Allamagny, 1960]

No lines were found at NBS that would

require the double "c" cell constant re- ported by Allamagny [I960].

References

Allamagny, P. (1960). Syntheses de fluorures

de deux metaux par reactions entre le

gaz HF et des chlorures cristallises

,

Bull. Soc. Chim. France 1960, 1099.

58
Sodium Calcium Sulfate (glauberite), Na2Ca(S04)2 (monoclinic)

Sample source The sample was prepared at NBS by reac- tion of CaCls and Nag SO4 in solution at

80 °C. Gypsum is formed as an intermediate product. The glauberite obtained

when the reaction is continued for several hours was washed with alcohol.

Major impurities

0.001-0.01% each: Al, Cu, Fe, Ni, and Si,

0.01 -0.1 % each: Sr.

Color

Colorless

.

Optical data

Biaxial (-) ,N(i=l . 511, N3 = 1.530, Ny=1.532

2V is small „ Tabular-shaped crystals.

Structure

Determined by Cocco et al. [1965].

Space group

Cih-C2/c (15), Z=4, [Pardillo, 1934] o

Density

(calculated) 2o782 g/cm^ at 25° C.

Reference intensity

I/I

ndum = 0.8,

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 °C

0 W /A \ a (A) TI rlRl 20(°)

0 . Z J-*i 9Z Z9 Tin X ± u X^1 A 9/1

, Zh

4,689 18 200 18,91

4,381 47 111 20,25

U Z U 9 1 AH

•5 Qyl c: nnuu 9z

9 9 1

Q "7 0 0 J • / yz 1 / 9 0 9 T 1

9

ZUZ / X xz Z59 "3 A A » 44

3.175 74 221 28,08

3 . 126 100 311 28,53

3 Tin dU 990 z zu 9 Q Z 0 . OC5

"3 c: J O XXZ 119 Z^9 Q c^n ,\> 1

Z • ^ z 0 J

"3 10xu 30 ^ '3 2.861 49 022 31,24

2.808 65 222 31.84

z • 0 / / X1 1 "3 9 9 1 J-O / Z Z X

"3 7 Ail 9 7 Q 9 0 9 Z U Z J4 • / D

9 4 7 R J

•3 XX11 0•5 ^0 9 7 a Z / 2,466 12 402 36,40

2.435 8 131 36. 88

"3 0 "3 "3 Z.J xy z z J

"3 0 Q c:

O 0 0 "3 /in tr c

2 , 191 7 222 41 , 17

2 , 140 14 331 42 , 19

2 , 122 8 422 42, 57

2 , 102 6 132 42 , 99

2,074 16 040, 330 43.61

2,036 19 114 44.46

2,006 38 041 45, 15

1,997 20 314 45,37

1,975 62 133, 004 45,90

1,958 13 512 46,33

1.908 14 404 47. 63

1,897 8 240, 224 47.91

1,858 3 513 48. 99

1.836 11 042,421 49. 61

Lattice constants

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

Pardillo [1935] 10.01* 8.21* 8.43* 112°11

Corazza and Sabelli [1965] 10.158 8.333 8.551 112°20'

Klebtsova and Borisob [1966] 10.30 8.32 8.60 112°

Araki and Zoltai [1967] 10.129 8.306 8.533 112°11.4'

±.002 + .002 + .002 ±0.6'

NBS, sample at 25°C (synthetic)

10.134 8.297 8.532 112°12.7

±.001 ±.001 ±.001 ±0.5 '

*from kX 59
Sodium Calcium Sulfate (glauberite),

0 d (A) I hkl 26(°)

1.830 9 510

1.799 12 223 50.70

1. 777 21 133 51.38

1. 747 3 402 52.33

1. 688 4 602, 514 54. 28

1.671 6 134, 332 54.89

1. 656 3 315 55.44

1.6316 13 115 56.34

1.6231 14 531 56. 66

1,6150 11 204 56.97

1.6111 10 422 57.12

1,5793 2 151 58.38

1. 5632 7 622, 600 59. 04

1.5530 1 440, 530 59.47

1.5296 3 623 60.47

1.5140 2 443,425 61. 16

1.5047 1 224 61.58

1.4865 1 244 62.42

1.4767 1 025, 152 62.88

1.4662 2 512,350 63.38

1.4607 2 352,333 63.65

1,4421 10 33 5 64. 57

1.4389 7 243 64.73

1.4310 5 153, 044 65. 13

1.4265 7 135 65.36

1.4142 4 206 66.00

1,4048 1 423 66. 50

1.3975 <1 351 66. 89

1.3830 <1 060 67.69

1.3583 1 Il6, 714 69.09

1.3364 4 442,535 70. 39

1,3318 8 261 70. 67

1.3248 <1 516 71. 10

1.3161 3 006 71. 64

1.3123 2 532 71,88

154, 352 72.58

1 9Q7 R J. J J 72 . 83

£. R 1 ^4 1 4- 7 2 . 98

X • z o x^ 9 1 J £t § -J ^ £. 73 . 90

1 . 2795 3 445 74 . 02

1.2752 3 715 74.32

1.2741 3 244 74.3 9

1.2641 <1 336 75.08

1.2547 2 026 75. 74

1.2388 4 263 76.89

Na2Ca(S0^)2 (monoclinic) - continued

r

1 hkl P/9/ol

1.2311 3 424 77.46

1. 2271 2 116 77.76

1.2156 <1 626 78.64

1. 2057 4 730, 317 79.41

1,1850 <1 533 81.08

1.1795 7 641 81.54

1. 1754 <1 l55 81.89

1, 1625 2 427, 117 82.99

1, 1579 1 227,446 83.40

1. 1476 1 514 84,32

1. 1421 <1 172 84.82

1.1317 3 136, 245 85.78

1, 1277 3 335 86. 16

1,1155 1 913,337 87.34

1, 1125 1 172 87 . 63

1.1002 <1 155 88.87

1.0951 1 444 89.39

1.0887 2 027, 354 90.06

1.0675 2 316 92.36

Additional patterns

PDF card 2-0556 [Imperial Chemical Industries, Northwich, England]

Corazza and Sabelli [1965];

Rassonskaya and Semendyaeva [1961].

References

Araki,T., and T.Zoltai (1967). Refinement

of the crystal structure of a glauberite

Am. Mineralogist 52, 1272-1277.

Cocco,G., E. Corazza, and C. Sabelli (1965)

The crystal structure of glauberite,

CaNas (304)2, Z.Krist. 122, 175-184.

Corazza, C. and C„Sabelli (1965) o Dati diffrattometrici sulla glauberite, Atti

Accad. Nazi. Lincei RendoClasse Sci.Fis.

Mat„ Nat. 38, 233-236.

Klebtsova, R.F., and S. V.Borisob (1966)

Crystalline structure of glauberite. Zh.

Strukt. Khim. 7, 892-4.

Pardillo,F. (1934) » Nueva investigacion de

la estructura cristalina de la glauberita, Mem. acad. cienc. arts 25 No. 1.

Rassonskaya, I .S .and N.K. Semendyaeva ( 1961

)

Phase transformations of sodium and calcium sulphates and their double salts,

RussoJoInorg.Chem.6, 891-895. (Trans. from

Zh .Neorgan.Khim. 6, 1745-1753.
Sodium Cobalt(ll) Sulfate Tetrahydrate, Na2Co(S04)2-4H20 (monoclinic)

Sample source The sample was prepared at NBS by crystallization from an aqueous solution of

its components at room temperature.

Major impurities

0.001-0.01% each: Al,Fe,Mn,Si,and Sr.

0.01 -0,1 % each: Ca,Mg,and Ni.

Color

Light purplish pink.

Optical data

Biaxial(-) Nrr = 1.512, NySfl.siy, Ny = 1.520;

2V is large.

Structure

Isostructural with NagMgCSO^ )a •4HgO

(bloedite) [Giglio, 1958]

.

Space group

c|h-P2i/a (14), Z=2 [ibid].

Lattice constants

NBS,

sample

at 25"C

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

11.104

±.001

8o249

±.001

5.541

±.001

100°21.6'

±.5'

Density

(calculated) 2.455 g/cm=' at 25° C.

Reference intensity

I/I

ndum 1.4

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 °C

d (A) 7 hkl 20/°)

6o58 13 110 13.45

5.453 16 200,001 16.24

4 .553 79 210,011 19 .48

4.440 14 111 19„98

4.259 39 201 20.84

4.128 2 020 21.51

3.990 16 111 22.26

3 .857 3 120 23 .04

3.786 16 211 23.48

3.552 2 201 25.05

3.329 28 -310 26.76

3.288 100 220, 021 27.10

3 .257 54 211 J 121 27 . 36

3.078 8 311 28.98

2.963 12 221 30.13

2.731 12 400,320 32.76

2.726 14 002 3 2.83

2 . 692 15 221 33 .25

2„667 11 130 33.57

2.639 25 401 33.94

2.622 7 Il2 34. 17

2.586 12 012p321 34.66

2o512 1 411, 212 35.71

2o456 2 230,031 36.56

2.436 4 131 36.86

2.428 4 112 3 6.99

2.356 4 131 38.17

2 .319 4 321 38. 80

2.311 6 231 38,94

2.302 8 312 39.10

2.296 10 122 39.21

2.280 15 202 39.49

2.277 16 420 39.55

7 199 1 411, 212 41. 00

2 . 174 7 231 41.51

? 16? 5 122 41.74

2 . 130 6 402 42 .40

2.113 8 510 42.76

2.097 3 511 43.10

2.063 3 412,040 43.84

2.027 22 140 44.66

1.996 3 421, 222 45.41

1.963 9 331 46.20

1.958 7 312 46.33

1.950 2 132 46.52

61
Sodium Cobalt(ll) Sulfate Tetrahydrate, Na2Co(S0^)2-4H20 (monoclinic) - continued

d(A) / hkl 29(°)

1.937 9 430,032 46.87

1.932 6 520,240 47.00

1.919 4 521 47.34

1.903 1 431,232 47.75

1.893 2 422 48.03

1.865 8 132 48.79

1.857 2 241 49.00

1.826 2 203 49.90

1.816 2 003 50.18

1.810 2 322 50.36

1.807 4 332 50.46

1.802 4 113 50.60

1.783 9 241,213 51.18

1.777 7 610,402 51.37

1.755 2 431,232 52.07

1.735 1 412,521 52.72

1.718 3 313 53.27

1.703 3 531 53.79

1.671 9 621 54.89

1.666 8 620 55.08

1.658 8 602 55.38

1.645 2 440,042 55.84

1.640 2 601 56.02

1.631 3 150,422 56.35

1.625 2 612,332,+ 56.58

1.609 2 611 57.22

1.605 4 123 57.36

1.600 3 142 57.55

1.570 4 531 58.78

1.563 2 342 59.03

1.551 7 151,532 59.56

1.545 4 512 59.82

1.537 6 423 60.17

1.533 7 710,133 60.33

1.530 5 441,242 60.47

1.522 6 631,223 60.82

1.518 4 630 61.00

1. 502 4 350 61 . 68

1.499 3 540 61.83

1.495 3 313 62.02

1.491 2 432 62.20

1.482 2 442 62.65

References

GigliOjM. (1958) • Die Krista llstruktur von

Na3Zn(S04 )s •4HsO (Zn-B16dit) , Acta Cryst.

11, 789-794.

62
Sodium Mangesium Sulfate Tetrahydrate, bloedite*, Na2Mg(S04)2-4H20 (monoclinic)

Sample source Natural mineral from Soda Lake, Calif.

National Museum No. 93 869.

*also known as astrakhanite.

Major impurities

0.001-0.01% each: Al, K, Mo, Ni, and Ti.

0.01 -0.1 % each: Ca, Co, Fe, Si, and Sr.

Color

Colorless

Optical data

Biaxial(-) ,Na=1.484, N3S=1,488, Ny=1.492.

2V is large.

Structure

Determined by Rumanova and Malitskaya

[1959], There are a number of isostructural hydrated double sulfates, [Giglio,

1958] .

Space group

c|h-P2i/a (14),Z=2 [Lauro, 1940]

Density

(calculated) 2.218 g/cm^ at 25° C.

Reference intensity

A. = 1.0. corundum

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 °C

d(A) / hkl 26(°)

5.463 2 200 16. 21

4.555 94 210,011 19.47

A A A O

5 TIT 111 19. 97

4.281 29 201 20.73

4. 126 10 020 21.52

3.981 9 111 22.31

3.860 6 120 23 . 02

3.800 25 211 23.39

O O Q O J . J J J 2 i J JlU 26.72

3.289 95 220,021 27.09

3.252 100 121, 211 27 .40

3.091 4 311 28. 86

3.055 3 121 29.21

z . y / X 4U zz 1 30.05

2.732

r 40

400, 320 32.75

2.724 002 3 2.85

2.687 221 33 .32

2. 667 130 33 . 57

z . bol

2.644 1 38

4Ui

311, 202

33 .78

33 .88

2. 623 2 112 34. 16

2.586 22 012 34 , 65

2. 518 3 212 35. 62

2.454 4 230,031 36.58

2.420 2 112 37. 11

2.314 11 231,321 38.89

2.297 12 122 39. 18

2.276

} "

420,401 39.56

2.271 022, 202 39.65

I/I 2. 194 6 330,411 41. 10

Lattice constants

Lauro [1940]

Rumanova and Malitskaya [1959]

NBS, sample at 25 °C

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

11.06*

11.05

11.128

±.001

8.17*

8.16

8.246

±.001

5.50*

5.50

5.543

±.001

100"39'

100°40'

100°51.9'

±0.8'

*from kX

63
Sodium Magnesium Sulfate Tetrahydrate, bloedite, Na2Mg(S04)2-4H20 (monoclinic) - continued

o d (A) I hkl 2e(°)Additional patterns

l.PDF card 4-0549 [Michigan Alkali Co,, Wy2.170

2 . 157

15

5

231

122

41.58

41. 84

andotte, Mich.].

2 . 141 8 402 42. 17

2 . 113 9 510 42.75

2 . 103 1 511 42. 96

2 . 080 3 322 43 .46 References

2 .062 4 040 43 . 88 Druzhinin,!. G.,B. Imanakunov and V.G.Kuz2 . 025 30 140 44.71 netsov (1961) . Physicochemical properties

1.992

} 7 421 45.49 of nickel astrakhanite, Russ. J.Inorg.

1. 988 J 222 45 . 58 Chem, 6 1302-4 . (Trans . from Zh. Neorgan.

Khim. 6 2576-82)

1 . 959 15 331 46.30 Giglio,M, (1958) , Die Kristallstruktur von

1. 951 5 132, 312 46. 50 Nas Zn (SO4 ) 2 • 4H2 0 (Zn-B16dit ) , Acta Cryst

1. 937

J 430 46. 86 11, 789-794.1. 933 032 46. 97 Lauro,C. (1940) . Ricerche Rontgenografiche

1. 921 14 141 47.27 sulla bloedite, Periodico Mineral. Rome

11, 89-98.

1.907

1 5

431 47.64 Rumanova,!. M, and G.I. Malitskaya (1959).

1. 901 J 422 47 . 81 Revision of the structure of astrakhan1. 876 3 141 48.48 ite by weighted phase projection meth1. 858 10 511, 241 48. 99 ods, Soviet -Phys. Cryst. 4,481-95 (Trans.

1. 834 5 601 49. 67 from Kristallografiya 4, 501-515)

1.812 4 33 2 50.31

1. 803 3 113 50. 59

1.790 10 611 50. 97

1. 785

J

213 51, 13

1. 779 610 51.30

1.753 5 341,431 52.14

1. 732 4 521 52 . 82

1. 723 2 313 53 . 12

1. 711 1 530 53 . 52

1 . 706 3 531 53 . 69

1.700 <1 113 53.87

1. 685 1 123 54.39

1. 676 10 621 54.73

1. 665 12 620, 602 55. 11

1. 661 10 023 55.26

1.644 1 042 55.88

1. 631 3 150, 413 56.35

1. 6252 1 242, 422 56. 58

1. 6200 1 332, 323 56.78

1. 6053 1 611 57.35

1.6012 6 123, 213 57. 51

1. 5988 3 142 57.60

1. 5671 5 531, 342 58. 88

1.5501 7 151 59. 59

1.5419 5 423 59.94

1.5278 3 441 60. 55

1.5181 10 630, 223 60. 98

1.4994 7 540 61,82

64
Sodium Manganese(ll) Trifluoride, NaMnFj (orthorhombic)

Sample source The sample was precipitated at NBS byadding MnClg to an excess of NaF in solution.

Major impurities

0.001-0.01% each: Co, Cs, Fe, K, and Mg.

0.01 -0.1 % each: Al, Ba, Ca, and Si.

Color

Very pale pink.

Optical data

Almost isotropic, N=1.425. Perfect cubes

about lOn in size.

Structure

Orthorhombic distorted perovskite [Simanov, Batsanova, and Kovba, 1957] . Assumed to be isostructural with CaZrOg

Space group

D^t-Pnma (62), Z=4 by analogy

with CaZrOa

Internal standard W, a = 3.16504 A

CuKa^ K = 1.5405 A; temp. 25 °C

d(A) I hkl 26C)

4.00 96 101 22.23

3.571 4 111 24.91

2.876 28 200 31.07

2.826 100 121 31.63

2.776 20 002 32.22

2.553 4 201 35.12

2.500 9 102 3 5.89

2.433 10 211 36.92

2.405 19 031 37.36

2.386 12 112 37.66

2.282 1 022 39.45

2. 219 8 131 40.63

2.152 8 221 41.94

2. 121 2 122 42.58

1.997 60 202 45.37

1.956 2 230 46.38

1.938 3 212 46.85

1.843 2 231 49.40

1.823 2 132 49.97

1.811 13 301 50.34

1.788 28 141 51.03

1.7666 8 311 51.70

1.7612 8 103 51.87

Lattice constants

a(A) h(A) c(A)

Simanov [1957] 11.520 8.000 11,136

NBS, sample 25°C- 5,7485 8,0045 5.5509*

±.0004 ±,0008 ±.0004

*Smaller cell indexed all NBS powder lines

Density

(calculated) 3.508g/cm3 at 25° C.

Reference intensity

corundum

Additional patterns

1. Simanov et al. [1957].

References

Simanov, Yu. P. ,L. P. Batsanova, and L.M. Kovba,

(1957) .X-ray investigation of the binary

fluorides of bivalent manganese, Russ

,

J. Inorg, Chem. 2, 207-215. (Trans, from

Zh. Neorg. Khim. 2 No, 10, 2410-2415),

1,7193 <2 113 53.23

1.6499 23 321 55.66

1.6426 19 240 55.93

1.6229 17 042 56.67

1.6119 33 123 57.09

1.5565 2 203 59.32

1.5384 <2 051 60.09

1.4981 2 331 61.88

1.4696 2 133 63,22

1.4669 2 322 63,3 5

1.4371 4 400 64,82

1.4133 15 242 66.05

1.3911 2 401 67.24

1.3873 2 004 67.45

1.3566 3 332, 251 69.19

1.3525 3 420 69.43

1.3481 3 152 69.69

1.3431 7 341 69.99

1.3303 <2 114 70.76

1.3222 2 143 71.26

1.3112 2 024 71.95

1.2763 3 402 74.24

1.2650 12 161,430 75.02

1.2630 9 323 75.16

1.2497 5 204 76.10

1.2160 5 422 78.61

I/I

65
Sodium Mercury(ll) Trichloride Dihydrate, NaHgCl3-2H20 (orthorhombic)

Sample source The sample was prepared at NBS by crystallization from an aqueous solution of

equal molecular amounts of NaCl and

HgClg .

Major impurities

0.001-0.01% each: Fe.

0.01 -0.1 % each: Al.

Color

Colorless

Optical data

Biaxial(+) ,Na=1.634, Ng=1.652, Ny=1.680,

2V is large.

Structure

Determined by Malcic [1959].

Space group

D^l-Pnam (62), Z=4, [Ninkovic, 1957]

Lattice constants

a(A) h(A) c(A)

Ninkovic [1957]

9.372 18.71 4.037

±.003 + .02 ±.002

NBS, sample at

25 °C 9.3803 18.732 4.0301

±.0005 ±.001 ±.0004

Density

(calculated) 3.433 g/cm^ at 25° C.

Reference intensity

, = 2.3 corundum

Additional patterns

1. Ninkovic [1957]

Internal standard W, a = 3.16504 A

CuKai \ = 1.5405 A; temp. 25 °C

o a (A) I nkl

9.3d 14 nUzUo n 9.44

8.39 100 110 10.54

6.62 40 120 13 .36

c Inn 5 . 199 A4

Ton Ij U 17 .04

/I col 4 . DO± DO o An r\AC\ 18.94

4.551 lo 21U 19.49

4.193 14 220,140 21,17

3.943 24 Oil 22.53

3 .749 by O *3 n 23 .71

3 . 63 3 111 111 24.48

3 ,479 62 Ten 15U 25.58

3 .444 80 121 25.85

3.387 51 031 26.29

3.315 9 24U 26.87

3 . 186 1 A 14 13

27.98

3 . 121 6 060 28.58

3.085 2 310 28.92

3.058 42 201 29.18

3 .016 51 oil 211 29.59

2 . 963 A A 44 3 20 , IbU 30.13

1 nn c 2 . 9U D bo ZZL, 14-1 30.74

2.797 4 330 31.97

2.745 38 231,051 32.59

2 . 634 11 TCI Id 1 34.00

Z. . bUU o yi n o tf^n o 4 u , z ou 34.47

2.572 2U 1 /u 34.85

2.559 16 241 35.03

2.449 40 311 36.66

2 . 4U

b 37 .42

2.386 5 J Zl , Ibl 37.67

2 .344 rD 4UU /I r\n r\ on , UoU 38.37

2 . 3 24 27 2 / U 38.71

2.297 3 331 39.18

2.272 8 180 3 9.64

2.229 14 071 40.44

2.208 16 3 60 40.83

2.195 39 430 41.08

2.169 9 171 41.61

2.095 4 440,280 43 .14

2.062 46 351 43.86

I/I

66
Sodium Mercury(ll) Trichloride Dihydrate

o d (A) / 26(°)

2.031 16 370,190 44.57

0 0 9 7 xo Am AA fi7

Z • U XD O AA

XJ A^ J . fin OU

X1 • Q7^ / Q^ XOX 1 ft! 4^ . ox

1.959 13 112 46.30

X • ^J / J ox /I cD • PAOD

1 Q O Q X • ^Zo Q XZZ 10 9 / ATI ft- J X A7ft / • XU1 O

X o Z XX z9Qnyu A7 7 7 X • O /ft Zft AP "3 'to • D J

1.860 17 441,281 48.93

X • OD VJ Z*l- nA9 OQl -1- AQ? » Z99Z X o O'l-U xu o 9nzu AQ ^O

X • oXD z J / X/ Xy X / "T OURO • 9Z 9Z X

1

o 7Q7 / y / J D J U jUE^O

• 7/ 7/

1.774 9 232 51.46

1 7 X . / DO Dyl 7n 0

c; X1

• Piox

X1• 7/ ATftX X X Dfl U , Z • xu • U OR9Z '^ 1 • D X

X

1 7 OO • / ZZ oJ 9^ 9 ZftZ O J

'3 • Xft 1 A

X

1 "7 nn • / uu xy1 Q ftOX / J ox D

c; J

o

• Qn

1.687 4 312 54.32

X • o / D zo X XX u Dft t^A

• 7/ AO

X • DOD Qo

"3 9 9 1 ^^,9 J ZZ / XOZ DR D

c: • OPUO

X • dXD ft >1 7 1 ft / X DO* y't X • OU O

1X oou^ J xu *U D^7/ • Z9 AO

1.592 18 342,262,+ 57.86

1 RAT c

\J • xz • u ^ ^ . XO

X X D D X 0^ • DD

1 ^ 7 1X R 70 fin OU 1 1^ . XD

1 c: O T Qo /I4XZ1 9 97 9

f

1 £. fin OU . 7P/ O

1.508 3 422,182 61.43

1 A QQQ DO £^9 OZ A9OZ "SI

• J X X . 4to J U Xft Oft-U A9OZ P • O

X , 4tb J o

co

c; QO yi - 1 o - n ^•3 c:o Oo • DU

X .4DJ X A f;i OX X

1 AA9 f ftftZ AO*!-A • OU Z9

1.4435 2 650 64.50

1.4385 8 1.12«1 64.75

1.4312 4 372,192 65.12

1.4194 6 631 65.73

1.4016 5 3 -ll'l 66.67

References

Malcic, S. S.(1959). Die Kristallstruktur

des Natriumtrichloromercurat (II) - Dihydrats. Bull. Inst. Nucl. Sci. "Boris Kidrich" (Belgrade) [9], 115-122.

, NaHgCl3-2H2 0 (orthorhombic) - continued

o a (A) I nkl 26(0)

1.3979 1 660 66.87

1.3 900 2 z • 12 • 1 O / . 3 0

1 . 3 83 2 4

O Q O zy z D / . bo

i . 3755 11 COT yt-in 1 D oX , 4 • xu •

bo .11

^ o "7 o o lb ftbz , J OZ , + bo . 2y

1.3 689 4 512 68.48

X . J D / O D X • XU • z

fiQ by 1 "a . X

1 "5 C C O X • J DOJ / n - 1 "3 - 1 U • Xj • X by . 2 X 1 .3402 2 UXJ / U . lb

1.3381 3 U • 14 • U

"in o Q /u . 2y

1.3274 5 472,720,+ 70.94

1.3 245 A4 X X4 • U / X • XZ

1 . 3 169 ITo byi , Z • lU • z /

/ X , Dy

1 . J Ij O

cD

"3 0 9 n "3 o J yz , u J J 7/ X

1

• oUPO

i . 30 J y 2 J •IJ •U,4»ll*

"7 9 /l O / Z • ftZ

1.2884 7 213,1-11-2,+ 73 .43

1 . 2797 4 D /I, 4o2 ,+ 7/1 n 1

1 . 2647 4 233 , 053 75 . 04

1 .2603 9 721 "7 C O C 75.35

1 . 253 5 3 2 11 O ICO • 11 • 2 , 153 "7 C O O 7 5 . o3

1.2448 2 243,3-13-1 76.45

1 . 2376 4 1 • 15 -0 , 581 7 /" O O 76 . 98

1 . 2347 5 602 77.19

1 . 2304 6 J - 14 - U

"7 "7 CI / / . D 1

1 . 227o 6 4 - 13 - U

"7 "7 "7 1 / / • / 1

1.2069 2 2-15-0 79.32

X . 2034 3 5-11-1 C 1 1 1

/ y . oy

1 . 2004 5 O - xU • U , D - 12 - U

•7 Q Q 0

/ y . 0J 1 . 1982 4

1 1 f\ 7 /U oU . U 1

1 . 193 6

-77 by 1

,

j4J ,

on "3 0 oU .00

1.1844 2 582,4-10-2 81.13

1 . 1833 1 1 • 15 • 1 ol .22

1.1725 5 oUU , J D

o2 • 1

1 . 1707 3 U • lb • U , olU o2 » 2y

1 . 1629 1 1 - 13 • 2 , 780 ,

00 ft ^ 82 . 96

1.1599 1 3'15-0 83 .22

1.1559 4 183,2-15-1 83.57

1.1522 3 830 83.90

1.1488 2 662,771 84.21

1.1369 1 840,2-13.2,+ 85.30

Ninkovic,D,V. (1957) .Die Elementarzelle und

die Raumgruppe von Natrium Quecksilber

(II) Chlorid-Dihydrat, Bull. Inst. Nucl.

Sci. "Boris Kidrich" (Belgrade) . 7, 81-82.

67
Sodium Nickel(ll) Sulfate Tetrahydrate, Na2Ni {S0^)2-W^0 (monoclinic)

Sample source The sample was prepared at NBS by crystallization from an aqueous solution of

its components at room temperature.

Major impurities

0.001-0,01% each: Al,Ca,Co, Fe,K,Si, and Sr

0.01 -0.1 % each: Mg

Color

Very light green.

Optical data

Biaxial(-) Na=1.518, N|3=1.520, Ny=1.522,

2V is large.

Structure

Isostructural with Na8Mg(S04 )a •4HaO

(bloedite) [Giglio, 1958]

Space group

c|h-P2i/a (14), Z=2 [ibid].

Lattice constants

NBS,

sample

at 25°C

a(A) C(A)

11.045

±.001

8.193

±.001

5.535

±.001

100"29.9'

±0.5'

Density

(calculated) 2.487 g/cm^ at 25° C.

Reference intensity

A = 1.5 corundum

Internal standard W, a = 3.16504 A

CuKaj K = 1.5405 A; temp. 25

o d (A) /

O . 3 J Tin 13 .54

5.430 9 001,200 16.31

4.523 62 Oil, 210 19.61

1 T 1TIT 20.01

A O y1 Q 4 • ^4y 2 Z) on T 20.89

4 • uyy 2 n on 21.66

3.976 14 111 22.34

3.834 3 120 23.18

3 ,11 i lo oil 23.56

O COO J 2Uo mJ. 25.15

3 .309 27 3 ±0 26.92

3.270 100 021, 220 27.25

3.243 211 27.48

3.235 J Izl TO! 27.54

3 .066 7 311 29.10

3 .043 2

1 O 1 Izl 29.32

2.951 13 221 30.26

2.713 17 400,320 32.99

7. .Kill 2U zZl 33.45

2 . 64 / i J 33.84

1 coo •3 T J 1 ftU 1 34.08

1 coo 1

"7 u xz 34.71

2.506 2 212 3 5.80

2.441 3 031,230 36.78

o yi o n •7/ X J.Z 37.12

2.342 3 131 38.41

2.306 7 321 39.03

J. O 1 O O T T 39.16

2 . 290 u Too Xzz 39.31

O O "7 1 2 . 271 ono /I

ZUZ / 4UX 39.65

o oc c 2 .266 } 21

J noo u Zz 39.75

2.214 1 222 40.71

2.190 2 212 41.18

2. 180 4

o o r\ 41.38

2 . 161 231 41.76

2. 155 J 122 41.88

2. 124 9 4U2 42. 53

2.099 10 510 43 .05

2.087 4 511 43 .31

2.068 2 322 43.73

2.049 4 040 44.16

2.012 17 140 45.01

1.987 6 222 45.61

1.950 17 331,312 46.52

1.927 16 032,430 47.13

I/I

68
Sodium Nickel (II) Sulfate Tetrahydrate, Na2Ni(S0J2-4H20 (monoclinic) - continued

d(A) / 26(°) d (A) / hkl 29(°)

1.908 7 141,521 47.61 1.4662 2 133 63.38

1.893 <1 431 48.02 1.4507 2 720 64.14

1.887 4 422 48.18 1.4451 3 712 64.42

1.867 o 141 48.74 1.4385 4 523 64.75

1.857 9 132 49.02 1.4336 3 342 65.00

1.852 9 511 49.15 1.4152 2 43 3 65.95

1.846 7 241 49.33 1.4095 3 152 66.25

1.824 1 512,203 49.96 1.4037 3 711,052 66.56

1.819 3 601 50.10 1.4000 3 631 66.76

1.813 4 003 50.27 1.3955 3 613,403 67.00

1.803 9 322 50.58 1.3 614 1 243, 214 68.91

1.777 1 13

611 51.38 1.3602 \ 6 004, 641,+ 68.98

1.772 J 241,013 51.52 1.3568 J ^ 532, 640 69.18

1.768 4 402, 610 51.64 1.3486 6 730 69.66

1.747 3 232,431 52.33

1.3386 3 623,442 70.26

1.741 1 341 52.51 1.3288 1 252,451 70.85

1.725 3 521 53.05 1.3246 1 6 333,061,+ 71.11

1.716 4 313 53.35 1.3212 J ^ 161,423 71.32

1.700 5 113,530 53.88

1.693 5 531 54.11 1.3076 1 550, 161,+ 72.18

1.3053 I

2

821, 551 72,33

1.663 13 621 55.20 1.2868 2 443 73.53

1.658 11 023 55.35 1.2756 3 641 74.29

1.655 I 12 620,403 55.48

1.651 1 602,341 55.60

1.63 6 5 042,440 56.19

Additional patterns

1.632 3 601 56.34 l.PDF card 14-659 [Kuznetsov and Imanakun1.620 5 413, 150,+ 56.76 ov] . 1.616 3 332, 242,+ 56.93 2.Druzhinin et al . [1961]

1.600 6 123,611 57.55

1.593 2 142 57.85

1.569 4 051,250 58.81

1.564 i 151 59.01

1.560 !

7 531 59.17

1.556 7 342 59.33 References

1.542 13 151,711 59.95 Druzhinin, I. G., B. Imanakunov, and V. G.

Kuznetsov (1961) Physicochemical pro1.537 10 512 60.16 perties of nickel astrakhanite, Russ. J.

1.533 8 423,622 60.32 Inorg. Chem. 6, 1302-1304. (Trans, from

1.5285 7 251,133 60.52 Zh. Neorg. Khim. 6, 2576-2582).

1.5208 13 242,441 60.86 Giglio,M. (1958). Die Kristallstruktur von

1.5167 6 223,233 61.04 Na2Zn(S04 )8 •4HaO (Zn-Blbdit) , Acta Cryst.

11, 789-794.

1.5082 5 630 61.42

1.4927 8 3 50 62.13

1.4903 5 540,313 62.24

1.4841 9 432 62.53

1.4750 3 442 62.96

69
Sodium Oxalate, Na2C204 (monoclinic)

Sample source NBS standard sample No. 40d. was used.

Assay indicated 99.9 % sodium oxalate.

Color

Colorless

Structure

Determined by Jeffrey and Parry, [1954].

Space group

c|i,-P2i/a (14), Z = 2 [ibid.].

Density

(calculated) 2.339 g/cm^ at 25° C.

Reference intensity

Additional patterns

l.PDF card 14-0758 [Hanawalt et al., 1938]

References

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

(1938) . Chemical analysis by x-ray diffraction, Ind. Eng. Chem. Anal. Ed. 10,

457-512

Jeffrey, G.A., and G.S. Parry (1954). The

crystal structure of sodium oxalate, J.

Am. Chem. Soc . 76, 5283-5286.

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp, 25 °C

o d (A) / hkl 20(0)

zUU 17.03

4.686 6 110 18.92

3 .700 5 210 24 .03

O A 1 A

1 UU i 25. 62

z • y DD y ZUI 30.11

nil o 1

30.86

2.825 100 111 3 1 . 64

2.759 9 111 32.42

XU Uz U 34.13

Z • bUU yi r\ n 34.47

QO zoilXX 36. 12

2.330 44 410 38.60

2.276 2 311 39.57

^ . i / b 1 /

•3 11 3 li 41.46

O Too 1 4u i 42.22

2.097 < 1 n ^ 1 1 o r\ 02 1 , 3 2 U 43 .09

2 .067 2 121 43 .75

2 .041 17 121 44.34

2 . u3U 7 401 44. 60

1 . 979 2

/111 411 45.80

1 . 966 7 —221 46.13

X o ^ ^ £. £. ^ 47.25

1.894 <1 411 47.99

1.84 9 5 420 49 . 25

1.820 11 321 50.07

1.768 8 321 51.65

1.737 6 002 52.66

1.728 9 511, 130 52.94

1.675 4 202 54.74

1.659 23 230,421 55.31

contlnu'^d

Lattice constants

Jeffrey and Parry [1954]

NBS, sample at 25 °C

a(A) b(A) C(A} j3(l

10.35

±.02

10.420

±.001

5.26

+ .02

5. 2552

±.0004

3 .46

±.02

3 .4799

±.0003

92°54

±6'

93''6.0'

±.5'

70
Sodium Oxalate, Na2C204 (monoclinic) - continued

o Internal standard W, a = 3.16504 A

CuKoi \ = 1.5405 A; temp. 25 °C

o a (A) J nkl zec)

-L . O o O J-U 55. 79

1.622 3 202 56. 68

1.617 2 112 56. 88

X • D OO 1 DUX 58. 10

± • D D J D U J X , J J u 59.04

J- • D D Z J- TX J X1 59.52

1.519 4 601,611 60 . 94

1.508 1 231 61.42

-L . O U ^ J. O Z X 61.71

i • o Z Zn 0 62.65

z J -L Z 63 . 66

1 .453 3 521,430 64 .02

1.448 3 620 64 . 28

1.43 9 2 331 a A "7 A o4 . / U

1.4304 4 710 65.16

1.4267 3 122,412

1.4131 3 331, 222

1.4101 2 402 66.22

1.3478 1 711 69.71

1.3152 1 621 7 1 70

-L . J U J 4

nZ Xfi u 72.45

1.2908 <l 422 73 . 27

1.2740 1 240 74 .40

1 A X • ^ DZ4l Z oQ XU1 n fin 0 _i_ , oUz , -r 75.20

X

/l 9 9 41 z z 76.60

1 o /I n Q X on 1 76.78

1.2323 3 630 11 .31

1.2291 2 041, 340 77.61

X . z xy< ± 19 9 X J z 78.36

X . Z X X X 9 9 9 Z J Z 78.99

X 0 Z U / ft PIO X X1 79.28

1. 1941 2 721 80.34

1.1905 2 241, 232 80.63

-L * -L / O J

1X 9 9 9 (^9 1 J J Z , OJ X 81.81

1.1728 <1 440 82.11

1.1657 2 612, 820,+ 82.72

1,1516 1 341 83 .96

1.1485 2 332 84.24

1.1377 1 622 85.22

1.13 34 2 712,730 85.62

1.1314 2 432,013,+ 85.81

1.1195 1 441 86.95

71
Sodium Zinc Sulfate Tetrahydrate, Na2Zn(S04)2'4H20 (monoclinic)

Sample source The sample was prepared at NBS by crystallization from a solution of its components at room temperature.

Major impurities

0.001-0.01% each: Fe,Mg,Ni,and Si.

0.01 -0.1 % each: Al and Ca.

Color

Colorless

Optical data

Biaxial (-) N(j=l . 507 , Ng = 1.512, Ny=1.516,

2V is large. Tabularly shaped crystals.

Structure

Isostructural with NagMg (SO4 )a •4H20

(bloedite) [Giglio, 1958]

,

Space group

c|h-P2i/a (14), Z=2 [ibid.]

Lattice constants

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

Giglio

100°35

[1958] 11.05 8.23 5.54

±0.02 ±0.02 ±0.01 ±05'

NBS,

sample

at

25°C 11.080 8.256 5. 534 100°11.7

±0.001 ±0.001 ±0.001 ±0.6'

Density

(calculated) 2.503 g/cm^ at 25° C.

Reference intensity

I/I ^ = 1.4 ' corundum

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 °C

0 11 fin hblI

5.57 15 110 13 .46

5.450 20 200,001 16.25

4.546 66 210,011 19.51

4 .436 18 111 20 . 00

4 . 247 36 201 20.90

4 . 128 1 020 21.51

3.994 18 111 22.24

3.857 2 120 23.04

3 .779 13 211 23 .52

3 . 553 3 201 25.04

3 .327 38 310 26.77

3.289 100 220,021 27.09

3.263 \ r 211 27.31

3 . 248 J 48 121 27 .44

3 .069 8 311 29.07

2 . 961 7 221 30 , 16

2.728 10 320,400 32.80

2.691 15 221 33.26

2 . 669 10 130 33.55

2 . 631 24 401, 202 34 . 04

2 .584 10 410, 012 34 . 68

2.509 1 321,411 35.76

2.456 2 230,031 36.55

2.426 4 112 37 .02

2 ,357 3 131 38. 15

2 . 3 19 3 321 38. 80

2.311 4 231 38.94

2.294 10 122 39.23

2 . 279 12 401, 202 39.50

2 . 273 12 420, 022 39.62

2.216 1 421, 222 40. 67

2.176 5 231 41.47

2.163 4 122 41.72

2.123 7 402 42 . 54

2 . 114 8 331 42.74

2. 109 7 510 42 . 85

2.092 3 511 43 .21

2.065 3 040 43.81

2.029 6 140 44.62

1.996 3 421, 222 45.39

1.963 9 331 46.21

1.958 3 312 46.33

1.935 6 032 46.91

1.930 5 240,041 47.04

1.914 4 521 47.46

72
Sodium Zinc Sulfate Tetrahydrate, Na2Zn(S04)2-4H20 (monoclinic) - continued

o Internal standard W, a = 3.16504 A

O oi \ = 1.5405 A; temp. 25

d(A) 7 26(°)

i . yu2 1 431. 23 2 41 .IS

i . ooy 3 422 48. 13

1 . 866 7 132 48. 77

1.862 5 511 48.87

1.856 5 241 49.03

1 . 824 J 49 . 97

1 . 818 2 600 50. 13

1 . 811 3 322 50 . 33

1.805 A*T J -J c. 50.52

1.800 A T]X X J 50.67

1.784 J- 51. 17

1 . 779 7 213 51.32

1.755 <1 431,232 52.05

1.734 1 J ^ J- 52.75

1.714 •5 ^1 53.40

1.710 J J w 53 . 56

1 . 704 2 522, 113 53 . 74

1.700 2 531 53 . 90

1. 668 7 621 55.01

1.663 5 620 \J £t \J f

-J'541 "-x J- +~ 55.18

1 . 652 4 602, 142+ 55 . 58

1.639 2 601 56.06

1.632 3 150,422 56.32

1.623 3 441, 242 56.67

1.608 3 611 57.26

1.576 2 l51 58.53

1.570 3 531 58.78

1.552 4 151 59.50

References

Giglio,M. (1958) . Die Kristallstruktur von

Na2Zn(S04 )s •4H2 0(Zn-Blodit) , Acta Cryst.

11, 789-794.

73
Sodium Zinc Trifluoride, NaZnFj (orthorhombic)

Sample source The sample was prepared at NBS by adding

a solution of ZnCla to a concentrated

solution of NaF. The precipitate was

washed and annealed at 500 "C.

Major impurities

0.001-0.01% each: Al,Mg, Mn, Mo, Si, Sr

0.01 -0.1 % each: Ba, Ca, and Fe,

Color

Colorless

Optical data

Almost isotropic, 1P:1.440.

Structure

Orthorhombic, distorted perovskite [Riidorff et al., 1959] Isostructural with

CaZnOg and NaMnFg

Space group

Dsl-Pnma {62)Z=4, [Rudorff et al.,1959].

Lattice constants

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

Rudorff et al.

(1959) 5. 569 7.756 5.40

Tutov et al.

(1966) 5.56 7.74 5.40

NBS, sample

at 25°C 5. 5873 7.775 5.4150

+.0003 ±.001 ±.0002

Density

(calculated) 4. 104 g/cm^ at 25° C.

Reference intensity

I/I , = 3.0.

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 °C

o

r! /A \ a (A) ri HKl

100 101 020 11 ,^1

3.477 2 Ill 25.60

2.793 23 200 32.02

z • / o RDovy 121

16 002 33.06

9 Aft"? 1 20

3 6 . 14

2.437 6 102 36.85

2.366 4 211 38.00

^ m O -J O 10 0^1 38.47

9 9 u 112 38. 67

9 9 9 T X 099 40 . 54

2.157 3 131 41.84

2.094 2 221 43.16

Z • U DD X 1X ^99^

4"^ 7fl 909 040 4fi fi9

JL • 3/U U X

9'^0 47 R?

1.887 1 212 48.19

1.793 1 231 50.88

± m / qZ xu J?01L/ X 1^ 1 R=i

1 7 Q 999 141 52 . 57

a.D 1 1 103 53 . 27

1.677 <1 113 54.67

1.604 14 321 57.38

X • D ^ O 1X 9 940 57 .70

9 9 123 58.72

1 517 1 203 61.04

1.494 <1 051 62.05

1.457 1 331 63 .83

1 133 65. 13

X1 . A9ft 'dr ^ O 1 322 65 .29

X.J ^DD 9 400 66. 94

1.3744 8 410,242 68.17

1.3534 2 004 69.38

X . o X**** o£. 490 71.75

X . J y

A JT41rf X 72.35

1.2/ o4 -5 1 o n94 74 1

1 . 2414 1 402 76.70

1.2294 5 323,430, -1- 77.59

1.2182 2 204 78.44

1.1825 1 422 81.29

1.1755 <1 260 81.88

1. 1691 <1 062 82.42

1.1661 <1 351 82,68

1.1627 1 224 82.98

1.1530 <1 153 83.83

74
Sodium Zinc Trifluoride, NaZnFj (orthorhombic) - continued

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 °c

o d(A) / hkl 20(°)

1. 1342 1 440 85.55

1.1198 <1 432 86.92

1.1107 1 044 87.81

1.0945 1 501 89.46

1.0839 1 511 90.57

1.0784 1 343 , 262 91.16

1.0627 1 423 92.91

1.0532 1 521, 115 94.00

1. 0461 2 442 94. 84

1 . 0437 2 361 95.13

1.0347 2 163 96.22

1.0322 2 244,270 96.53

1.0256 2 125 97.36

.9720 <1 404, 080 104 . 82

.9535 <1 541 107.76

.9500 1 503 108.33

OA O Q 109.55

.93 61 1 305,064 110.74

.9228 1 523 113.16

.9176 1 601 114.15

.9162 1 363 114.42

.9144 1 082 114.77

.9102 2 325,434 115.61

.9026 1 182,006 117.15

Polymorphism

NaZnFg is reported to occur in two polymorphic forms [Schmitz-DuMont and Bornefeld, 1956] with an inversion at 683 °C.

The lower form is tetragonal, but was not

observed at NBS

References

Rudorff,W., J.Kandler, B.Lincke and D, Babel

(1959). iiber Doppelfluoride von Nickel

und Kobalt, Angew. Chem. 71, 672.

Schmitz-DuMont,0, and H.Bornefeld (1956).

Die Systemreihe Alkalifluorid/Zinkfluorid, Z.Anorg. Allgem. Chem. 287,120-137.

Tutov, A.G. and P.P. Syrnikov (1966). The

synthesis and x-ray study of single

crystals of NaZnFg type. Abstract, Acta

Cryst. 21, A272.

75
strontium Indium Hydroxide, SrjIn^COHlj^ (cubic)

Sample source The sample was prepared by Jun Ito.

Major impurities

NaOH was used in the preparation. Since

it was not practical to wash the sample,

1-5% remained in the sample and appeared

as a separate carbonate phase in the

powder pattern.

Color

Yellowish white

Structure

Isostructural with other

[Ito and Frondel, 1967]

Space group

0i°-Ia3d (230), Z=8.

[Flint et al. , 1941]

Lattice constants

hydrogarnets

a(A)

Ito and Frondel, [1967] 13.53

NBS, sample at 25 °C 13.5222

+.0001

Density

(calculated) 3.742 g/cm=* at 25° C.

Additional patterns

l.Ito and Frondel [1967].

References

Flint, E.P., H.F. McMurdie, and L.S. Wells

(1941) . Hydrothermal and x-ray studies

of the garnet-hydrogarnet series, J. Res.

Nat. 26, 13-33.

Ito, J. and C. Frondel (1967). New synthetic hydrogarnets. Am. Mineralogist 52,

1105-1109.

Internal standard W, a = 3.16504 A

CuKaj A. = 1.5405 A; temp. 25 °C

d(A) / hkl 20(0)

5.521 65 211 16.04

X o . O J 3.613 39 321 24.62

. 3.379 65 400 26,35

3.025 51 420 29.50

2.759 100 422 32.42

» U J ^ Qo H J A. 2.468 40 521 36.37

2.390 7 440 37.60

2.194 36 611 41.10

2.139 18 620 42.22

1 99? 8 A R A7

1.875 18 640 48.51

1 . 840 15 721 49.49

1.807 74 642 50.47

1.717 10 732 53 .30

1 . 689 13 800 54 .25

1.617 4 653 56.91

1.593 9 822 57.83

1.531 2 752 60.41

1.5116 28 840 61.27

11 fi9 94

1.4578 8 921 63.79

1.4413 23 664 64.61

1.4254 1 851 65.42

1.3946 6 932 67.05

1 . 3 801 5 844 67 . 85

1.3660 1 941 68.65

1.3389 3 10- 1*1 70.24

1.3262 10 10- 2-0 71.01

1.3132 1 943 71.81

1.2896 8 10*3 '1 73 .35

1.2557 13 10-4«0 75.67

1.2453 4 10.3-3 76.42

1.2345 27 10'4-2 77.21

1.2044 8 11.2«1 79.51

1.1951 12 880 80.26

1.1683 4 11-3-2 82.49

1.1596 3 10-6-0 83 .25

1.1350 1 965 85.47

76
strontium Indium Hydroxide, SrjIn^fOH)^^ (cubic) - continued

o Internal standard W, a = 3.16504 A

CuKai \ = 1.5405 A; temp. 25

d (A) 7

1»1268 10 12'0'0 C3D . D 1.1115 3 12'2-0 O / • / J 1.1041 4 ll'5-2 ftft OO •HiA 7 1.0966 24 12 '2 -2 89.24

1.0757 2 11 '6.1 91.46

1.0690 2 12'4.0

1.0496 4 11-6.3

1.0431 4 10-8.2 Q c: 1 Q

1.0252 3 13 '2.1 97.41

1.0078 6 12'6'0 99.69

0.9969 11 12'6'2 1 m 1 R

.9760 5 888 1 ri/i o o .9709 1 13 '4-3 XUD ft uu .9611 2 14.1-1 106.54

.9561 5 14-2-0 107.34

.9421 4 14-3-1 J.U y • DO

.9375 6 12-8-0 Tin 4 Q

.9287 4 14-4-0 X Xz • Uo

.9200 19 14-4-2 113 .70

.9076 2 14-5*1 116.13

.9035 1 12-8-4 xxo • y

.8916 4 15- 2*1 XXy 1 1 Q cr O . D Z .8766 2 15-3-2 loo Q^;, .8657 4 12-10-0 125.69

.8621 2 14-7-1 126.61

.8587 15 14-6-4 1 07 n:/i .8485 4 15-5-2 X1 "3 n T Q J u . J y

.8452 4 16-0-0 X J X . J o .8323 3 16-2-2 135.47

.8230 3 15-6-3 138.76

.8200 8 16-4-0 139.89

.8139 5 16-4-2 142 .30

.8110 4 15-7-2 143.51

.8081 7 12-10-6 144.80

.7996 2 15-6-5 148.84

.7886 2 17-2-1 155.24

.7859 4 16-6-2 157.08

77
strontium Scandium Oxide Hexahydrate, Sr3Sc205-6H20 (cubic)

Sample source The sample was prepared by Jun Ito.

Major impurities

0.01 -0.1 % each: Al, Ca, Fe

0.1 -1.0 % each: Si

greater than 1%: Na*

*NaOH was used in the preparation. Since

it was not practical to wash the sample,

1-5% remained in the sample and appeared

as a separate carbonate phase in the

powder pattern.

Color

Yellowish white

Structure

Isostructural with other hydrogarnets

[Ito and Frondel, 1967]

Space group

0i°-la3d (230), Z=8 [Flint et al., 1941].

Lattice constants

a(A)

Ito and Frondel, [ 1967] 13.39

NBS, sample at 25 °C 13 .4007

±.0002

Density

(calculated) 3.074 g/cm^ at 25° C.

Additional patterns

l.Ito and Frondel [1967].

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 °C

o d (A) / hkl

D . 4 /U lUU oil z il 16.19

4.741 4 220 18.70

3.583 80 321 24.83

3 . 34y 0 1 4UU 26.59

2 . 994 lUU 42U 29.81

2. . obU i

o o ^ J Jz 31.25

2.735 41 422 32.71

2.628 11 431 34.09

O A Al Z . 44 / / 2 OzX col 36.70

Z.J by 2. 44U >1 y1 n 37.95

2 . i /4 DO ell 41.50

2.119 1 620 42.63

2.069 3 541 43 .71

1.975 5 53i 45.90

i . 934 iU 444 y1 yl yl 46.94

i . 895 3 543 47 . 97

1.857 31 640 49.00

1.823 23 721 49.99

1 . 790 39 642 50.98

1.701 11 73 2 53.84

1 . 675 11 800 54.77

1.650 3 741 55.64

1.602 2 653 57.49

1.558 2 o3 i 59. 27

1. 517 3

•7 C O 752 61.01

1 .498 7 o4U 61.87

1.462 7 842 63 . 60

1.4450 5 921 64.42

1 . 42b5 rO bb4 65.26

X .4129 z Q C 1 66.07

1 . 3o2i 5 Q O O y J z 67 . 74

1.3535 1 941 69.37

1.3267 3 lO-l-l 70.98

1 . 3137 1 lU • z • U 71.79

1 . 3015 3 y43 72.57

1.2778 /-D lU • J • 1 74. 14

p 76.50

1.2339 3 10 -3 -3 77.25

1.2234 5 10-4-2 78 . 04

1.2131 2 954 78.83

1.1941 6 11-2*1 80.34

1.1846 3 880 81. 12

1.1576 4 11-3-2 83.42

1.1244 2 965 86,48

1.1167 8 12-0.0 87. 22

78
strontium Scandium Oxide Hexahydrate, Sr3Sc20g -GH^O (cubic) - continued

Internal standard W, a = 3.16504 A

CuKai K = 1.5405 A; temp. 25 °C

o a (A) / rlRl 2e(°)

1 . 1094 1 11'4'3 o7 . 94

1.1015 1 12.2-0 bo . /4

1.0940 1 11-5-2 by . 5 1

1 . 0869 5 12 • 2 • 2 90.25

J-1 • ofi'ig \J \J ^ -/ 2 11-6-1 92.54

1 . 0401 5 11-6-3 n c c c yb . bb

1.0278 3 12-5-1 y / . Uo

1.0159 2 13 • 2 • 1 yo . oi

1 .0102 1 12-4-4 99,36

0 . 9988 14 12-6-0 100,92

. 9934 3 13-3-2 101 . 57

.9879 2 12-6-2 ±Uz 1 n o An . 4 / .9824 1 13-4-1

. 9572 1 888 105,57

. 9524 1 14-1-1 107,95

.9337 3 14-3-1 111 IT

.9292 1 12-8-0 111 QQ

.9204 1 14-4-0 113.63

.9118 7 14-4-2 115 .29

.8994 3 14-5-1 117.84

.8837 3 15-2-1 121.30

.8686 1 15-3-2 124.93

.8579 2 12-10-0 127,75

.8510 2 14-6-4 129.68

References

Flint, E.P., H.F, McMurdie, and L.S. Wells

(1941). Hydrothermal and x-ray studies

of the garnet-hydrogarnet series, J, Res.

Nat. 25, 13-33.

Ito,J. and C. Frondel (1957). New synthetic hydrogarnets. Am, Mineralogist 52,

1105-1109,

79
Ytterbium Oxide, Yb203 (cubic)

Sample source The sample was obtained from Prof. F. H.

Spedding, Iowa State College, Ames, Iowa.

It was heated to 1400°C and then held at

1300°C for 48 hours.

Major impurities

0.001-0.01% each: Cu,Fe,Mg,Pb,Ti,v,and Zr

0.01 -0.1 % each: Al,Ca,Sb

Color

Colorless

Structure

MnsOa type [Pauling and Shappell 1930]

Space group

nl-laS (206), Z=16 [ibid.]

Lattice constants

Goldschmidt et al. [1925]

Bommer [1939]

Brauer and Gradinger [1954]

Templeton and Dauben [1954]

Staritzky [1956]

NBS, sample at 25°C

*from kx

**from Fe=1.934

a(A)

10.41**

10.429*

5.219*

10.439

10.435

10.4342

±0.0001

Density

(calculated) 9.216 g/cm^ at 25° C.

Reference intensity

I/I , = 6.9 ' corundum

Internal standard W, a = 3.16504 A

CuKa, k = 1.5405 A; temp. 25

J hbl rtrC V 20(0)

Z zuu 17.02

4.25 10 211 20.87

3.010 100 222 29. 65

O T QQ z o ZX 32.08

Z • OUo "3 "3 Ann 34.35

cD ft X X 3 6.50

2.333 1 420 38.56

2.225 4 332 40.51

Z • J- T il O 0 42.40

OQ ft J X 44.21

1 OkC\A Q A OZROTX Al .10

1.8446 34 440 49.36

1.7895 2 433 50.99

1 T O Q A J. cnn dUU 52.58

1 . by 2y >i4 OX X 54.13

T >t n o J. con 55.66

1.6101 4 541 57.16

1.5734 24 622 58.62

T C O fi 1 co DO 1 60.06

i5Ud3 5 444 /I ^ ^ 61. 51

1 . 47 58 2 543 62.92

1.4471 1 640 64.32

1.4192 2 721 65.74

1 . 3 946 1 CA O 67.05

1 o o c ^ i , 3 2 d4 2

"7 "J O / 3 Z 71.06

i . 3U45 4 oUU on n 72.38

1.2843 3 811 73 .70

1.2656 2 820 74.98

1 . 247 2 z c tr ^ 76.28

1 • 22yo i. OZZ 77.57

1 . 2130 4 o3 X 78.84

X » X7 /

c 80.09

1.1814 1 752 81.38

1.1665 4 840 82 . 65

1.1525 1 833 83.88

1.1384 1 842 85.16

1.1251 2 921 86.41

1.1123 1 664 87.65

1.0999 2 851 88.90

1.0763 2 932 91.39

80
Ytterbium Oxide, Yb^Og (cubic) - continued

d(A) / hkl 2e(°)

1.0650 4 844 92.64

1.0541 1 941 93.89

1.0436 1 10.0.0 95.13

1.0332 1 10.1.1 96.41

1.0232 2 10.2.0 97.66

1.0136 1 943 98.91

1.0042 2 10.2.2 100.18

0.9949 1 10.3.1 101.47

.9774 1 871 104.01

.9688 2 10.4.0 105.32

.9606 1 10.3.3 106.62

.9526 1 10.4.2 107.91

.9447 1 954 109.24

.9297 1 11.2.1 111.89

.9223 1 880 113.27

.9082 1 10.4.4 116.02

.9014 1 11.3.2 117.41

.8948 1 10.6.0 118.82

.8882 1 11.4.1 120.27

.8819 2 10.6.2 121.71

.8757 <1 965 123.18

.8695 1 12.0.0 124.71

.8635 1 12.1.1 126.23

.8577 1 12.2.0 127.80

.8520 1 11.5.2 129.40

.8463 2 12.2.2 131.06

.8408 1 12.3.1 132.72

.8301 1 11.6.1 136.23

.8249 1 12.4.0 138.07

.8198 1 12.3.3 139.95

.8148 2 12.4.2 141.93

.8098 1 11.6.3 144.02

.8050 1 10.8.2 146.21

. OWL/

.7995 <1 10.6.6 151.03

.7910 1 13.2.1 153.70

.7865 1 12.4.4 156.66

.7820 1 12.5.3 160.08

Additional patterns

1. PDF card 6-0371.

Polytechnic Inst,

Pert [1962].

2.Staritzky [1956]

[Div. Applied Physics

of Brooklyn,N.Y.1955]

,

References

Bommer,H. (1939) . Die Gitterkonstanten der

C-Formen der Oxyde der Seltenen ErdMetalle, Z. Anorg. Allgem.Chem. 241,273-

280.

Brauer,G. and H.Gradinger (1954) .Uber heterotype Mischphasen bei Seltenerdoxyden,

I., Z. Anorg. Allgem. Chem. 276,209-226.

Pert, A. [1962] .Structure de quelques oxydes

de terre rares. Bull. Soc. Franc. Mineral.

Crist. 85, 267-270.

Goldschmidt, V.M., T. Barth, and F. Ulrich

(1925) . Geochemische Verteilungsgesetze,

der Element IV- Zur Krystallstruktur der

Oxyde der Seltenen Erdmetalle, Skrifter

Norske Videnskaps-Akad. Oslo I.Mat. Naturv. Kl. 1925, No. 5., 1-24.

Pauling, L. and M.D. Shappell (1930). The

crystal structure of bixbyite and the Cmodification of the sesquioxides, Z.

Krist. 75, 128-142.

Staritzky, E. (1956) . Yttrium sesquioxide

Y2O3, Dysprosium sesquioxide DysOs, Erbium sesquioxide ErsOs , Ytterbium sesquioxide YbsOg, Anal Chem. 28, 2023.

Templeton,D.H. and C.H.Dauben (1954). Lattice parameters of some rare earth compounds and a set of crystal radii, J.Am.

Chem. Soc. 76, 5237-5239.

81
CALCULATED POWDER PATTERNS

Aluminum Nickel, AINi (cubic)

Structure

Becker and Ebert [1923]. Isostructural

with Csl and CsCl. Atoms are in special

positions

Al: 0 0 0

Ni: I ^ i

Space group

Oi-Pm3m (221). Z=l [ibid.].

Lattice constants

a(A)

Becker and Ebert (1923) 2.83

Bradley and Taylor (1937) 2.887*

Guseva (1951) 2.886*

*from kX

The constant used was a=2.887

Density

(calculated) 5.913 g/cm^ at 25° C.

Calculated Pattern

CuKa, \ = 1.5405 A

d(A) (Peak \

\height

hkl 2()(")

2 .89 27 100 30.95

2.04 100 110 44.33

1.667 5 111 55.04

1 . 444 13 200 64.50

1.291 5 210 73 .25

1.179 22 211 81.61

1.021 7 220 97.98

0.962 2 300 106.3

.913 10 310 115.1

.870 1 311 124.5

.83 3 3 222 135.1

.801 2 320 148.3

Additional patterns

l.PDF 2-1261 (Bradley and Taylor, 1937).

References

Becker, K. and E. Ebert (1923 ) .Rontgenspektroskopie an Metallverbindungen, Z.Physik 16,165-169.

Bradley, A.T. and A.Taylor (1937) . An x-ray

analysis of the nickel-aluminium system,

Proc. Roy. Soc. (London) Ser.A 159,56-72.

Guseva, L. N. (1951). On the nature of the

g -phase in the nickel-aluminum system,

Akad. Nauk SSSR, Doklady 77 , 415-418.

82
Gold Magnesium, AuMg (cubic)

Structure

Brauer and Haucke (1936) . Isostructural

with CsCl; atoms in special positions:

Au: 0 0 0

Mg: w_. Ill s s 2

Space group

Oi-Pm3m (221). Z=l. (ibid.).

Lattice constants

a(A)

Brauer and Haucke (1936) 3.266*

*from kX, for the composition at 48.7 atomic percent Mg.

Density

10.55 g/cm^ , calculated using the lattice

constant ao = 3.266 i, and 50-50 atomic

percents

Calculated Pattern^

CuKa, k = 1.5405 A

o d(A) (Peak \

^[height

)

hkl 20(")

3.27 82 100 27.28

^ • J J- 1 on Tin O C5 . y / 1.886 20 111 48.22

1.633 15 200 56.29

1.461 24 210 63.65

1.333 28 211 70.58

1.155 9 220 83 .68

1.089 11 300 90.07

1.033 12 310 96.45

0.985 7 311 102.9

.943 4 222 109.6

.906 7 320 116.5

.873 20 321 123.9

.816 3 400 141.2

.792 15 410 153.0

Additional patterns

l.PDF card 4-0796 [Brauer and Haucke, 1936]

References

Brauer, G. and W. Haucke (1936) . Kristallstruktur der intermetallischen Phasen

MgAu und MgHg, Z.Physik. Chem. B33, 304-

310.

83
Mercury Magnesium, HgMg (cubic)

Structure

Brauer and Haucke (1936) . Isostructural

with CsCl; atoms in special positions:

Hg: 0 0 0

Mg: * 4 *

Space group

Ok-Pm3m (221). Z=l. (ibid.).

Lattice constants

Brauer and Haucke (1936)

a(A)

3.449*

*from kX, for the composition at 50.8 atomic percent Mg.

Density

9.102 g/cm^ .calculated using the lattice

constant ao = 3.449 A, and 50-50 atomic

percents

Additional patterns

1. PDF card 4-0775[Brauer and Haucke, 1936]

Calculated Pattern

CuKa, \ = 1.5405 A

o a(A) /Peak \ ^height) hkl 2u(")

3.45 80 100 25.81

2 .44 100 J.Tin-LU JO. o2

1.991 20 111 45.51

1.724 15 200 53.06

1.542 25 210 59.92

1.408 28 211 66.33

1. 219 ao ^ z u

"7 0 O C / o . 35

1.150 11 300 84.13

1.091 11 310 89.86

1.040 6 311 95.58

0.996 3 222 101.4

.957 6 320 107.3

.922 16 321 113.4

.862 2 400 126.6

.837 10 410 134.1

.813 11 411 142.7

.791 6 331 153.5

References

Brauer, G. and W. Haucke (1936). Kristallstruktur der intermetallischen Phasen

MgAu und MgHg, Z.Physik. Chem. B33, 304-

310.

84
Osmium Titanium, OsTi (cubic)

Structure

Laves and Wallbaum [193 9], Isostructural

with CsCl; atoms in special positions:

Oss 0 0 0

Ti: * I *

Space group

Oi-PmSm (221). Z=l. (ibid.)

Lattice constants

a(A)

Jordan 3.07

Dwight 3 .07

Calculated Pattern

CuKa, \ - 1.5405 A

o d(A)

JPeak \

I height

)

hkl 2(){")

3.07 50 100 29.1

? 17 100 110 X . D 1.77 12 111 51.5

1.54 14 200 60.2

1.37 14 210 68.2

1.25 26 211 75.8

1.09 8 220 90.4

1.02 7 300 97.6

0.971 12 310 105.0

.926 5 311 112.6

.886 4 222 120.7

.851 4 320 129. 5 .820 21 321 139.7

Density

(calculated) 13.66 g/cm'

Additional patterns

1- PDF 18-944 [Dwight, private comm.]

References

Dwight, A. E. (1959) . CsCl-type equiatomic phases in binary alloys of transition

elements. Trans. AIME 215, 283-286.

Jordan, C. B. (1955) . Crystal structure of

TiRu and TiOs, J. Metals 7, 832-833.

Laves, F. and H. J. Wallbaum (1939). Zur

Kristallchemie von Titan- Legierungen,

Naturwissenschaften 27, 674-675.

85
Ruthenium Titanium, RuTi (cubic)

Structure

Laves and Wallbaum (1939) . Isostructural

with CsCl; atoms in special positions:

Ru: 0 0 0

Ti: * 4 i

Space group

Oi-Pm3m (221). Z=l. (ibid.).

Lattice constants

a(A)

Jordan (1955) 3.06

Dwight (1959) 3 .070

The constant used was ao=3.06 \.

Density

8.63 g/cm" (calculated from ao=3.06 A).

Additional patterns

1- PDF 18-1144 [Dwight, private comm.]

Calculated Pattern

CuKa, k = 1.5405 A

o d(A)

/ Penh \

I he>icrhf 1 hkl 2i)(")

3 .06 19 100 29.2

2 . 16 100 110 41.7

1.77 4 111 51.7

1.53 14 200 60.4

1.37 5 210 68.5

1.25 24 211 76,1

1.08 7 220 90.8

1.02 2 300 98.1

0.968 11 310 105.5

.923 2 311 113.2

.883 3 222 121.4

.849 2 320 130.3

.818 20 321 140.7

References

Dwight, A. E. (1959) . CsCl-type equiatomic phases in binary alloys of transition

elements. Trans. AIME 215, 283-286.

Jordan, C. B. (1955). Crystal structure of

TiRu and TiOs, J. Metals 7, 832-833.

Laves, F. and H. J. Wallbaum (1939). Zur

Kristallchemie von Titan- Legierungen,

Naturwissenschaften 27, 674-675.

86
Silver Gadolinium, AgGd (cubic)

Structure

Dwight [1959]. Isostructural with CsCl;

atoms in special positions:

Ag: 0 0 0

Gd: i

Space group

Oi-Pm3m (221) Z=l. (ibid.)

Lattice constants

a(A)

3.66

landelli (1960) 3.653

Baenziger and Moriarty (1961) 3.6476

3.6491

The constant used was ao = 3.6483 1, the

average of the last two values.

Calculated Pattern

CuKa, \ = 1.5405 A

o /Peak \

[height)

flK hbl1

J . b4o 3 100 24 . 38

2.580 100 110 34.74

2.106 <1 111 42.90

15 200 49. 95

1 . 632 1 210 56.34

1 . 4oy 28 211 62 . 28

1.290 8 220 73.33

1.216 <1 300 78.60

1 • Xd4 11 3 10 83 .77

< i 311 88. 89

1.053 3 222 94.00

1. 012 <1 320 99.14

0.9750 13 321 104.36

.9121 2 400 115.24

.8848 <1 410 121.03

.8599 9 411 127.20

.8370 <1 331 133.93

.8158 6 420 141.53

.7961 <1 421 150.70

Density

9.065 g/cm® (calculated from ao=3.6483^.)

References

Baenziger,N. J . and J .L .Moriarty, Jr .( 1961)

Gadolinium and dysprosium intermetallic

phases. II. Laves phases and other structure types. Acta Cryst . 14 948-950.

Dwight, A. E. (1959) . CsCl-type equiatomic phases in binary alloys of transition

elements. Trans. AIME 215, 283-286.

Gschneidner,K.A. Jr. (1965) . Crystal Structures of some equiatomic gadolinium compounds. Acta Cryst. 18, 1082-1083.

landelli, A. (1960) . Su alcuni composti intermetallici e semimetallici del Gadolinio, Atti Accad. Nazi. Lincei Rend.

Classe Sci. Fis . Mat. Nat. 29, 62-69.

87

CUMULATIVE INDEX TO CIRCULAR 539, VOLUMES 1, 2, 3, 4, 5, 6,

7, 8, 9, 10, MONOGRAPH 25, SECTIONS 1, 2, 3, 4, 5, and 6^

Aluminum, Al

Aluminum antimony, AlSb

Aluminum calcium sulfate hydrate (ettringite). Al,0,-6Ca0.3SO,-31H,0

Aluminum chloride hexahydrate (chloraluminite), A1C1,-6H,0

Aluminum fluosilicate, topaz, AljSiO,(F,OH),

Aluminum metaphosphate, Al(PO,),

Aluminum nickel, AlNi

Aluminum orthophosphate (berlinite), AlPO.

(trigonal)

Aluminum orthophosphate, AlPO. (orthorhombic)

Aluminum oxide, (corundum), alpha A1,0, . . . . .Aluminum oxide monohydrate (bohmite), alpha

A1,0,-H,0

Aluminum oxide monohydrate, diaspore, beta

A1,0,-H,0

Aluminum silicate (mullite) 3A1,0, -25102 . . . . .Ammonium aluminum sulfate dodecahydrate

(teschermigite), NH,Al(SOJ,- 12H,0

Ammonium azide, NH,,Nj

Ammonium bicarbonate (teschemacherite),

(NH,)HC03

Ammonium bromide, NH^Br

Ammonium bromoosmate, (NH,)20sBr^

Ammonium bromoplatinate, (NH„),PtBrs

Ammonium bromoselenate, (NH,)jSeBr^

Ammonium bromotellurate, (NHJ^TeBr^

Ammonium cadmium trichloride, NH„CdCl3 . . . Ammonium chloride (sal-ammoniac), NH^Cl . . . .Ammonium chloroiridate, (NHJJrCl,^

Ammonium chloroosmate, (NH,),OsCl,^

Ammonium chloropalladate, (NH,,)2PdCl^

Ammonium chloropalladite, (NH^)jPdCl,

Ammonium chloroplatinate, (NH.),PtCl^

Ammonium chlorostannate (NHJ^SnCl^

Ammonium chlorotellurate, (NH„),TeCl^

Ammonium chromium sulfate dodecahydrate,

NH„Cr(S0J,-12H,0

Ammonium cobalt (II) trichloride, NH4 CoCl,

Ammonium dihydrogen phosphate, NH,H,PO,

Ammonium fluoberyllate, (NH„),BeP,

Ammonium fluoborate, NH.BF,, . .'. Ammonium fluogermanate, (NH,),GeF,

Ammonium fluosilicate (cryptohalite),

(NHJ,SiF, , Ammonium gallium sulfate dodecahydrate,

NH,Ga(SOJ,- 12H,0

Ammonium iodide, NHJ

'Further work on this program is in progress, and it is antic- ipated that additional sections will be issued. Therefore, the ac- cumulative index here is not necessarily the concluding index for the project. m—Monograph 25. A mineral name in ( ) indicates a synthetic sample.

Vol. or sec. Page

1 11

4 72

8 3

7 3 Im 4 2m 3 6m 82

10 3

10 4

9 3

3 38

3 41 3m 3

6 3 9 4

9 5

2 49

3 71

9 6 8 4

8 5 5m 6

1 59

8 6 Im 6

8 7

6 6

5 3 5

8

48

6 7 6m 5

4 64

3m 5 3m 6

6 8

5 5

6 9 4 56

Vol. or sec. Page

Ammonium iron sulfate dodecahydrate,

NH,Fe(SOJ,-12H,0 6 10 Ammonium manganese(II) trifluoride, NH„MnF, 5m 8 Ammonium mercury(II) trichloride, NH,,HgCl, 5m 9 Ammonium metavanadate, NH^VO, 8 9 Ammonium nickel (II) trichloride, NH^NiCl, . . 6m 6 Ammonium nitrate (ammonia-niter), NH.,NO, . . 7 4 Ammonium oxalate monohydrate (oxammite),

(NH,),C204-H,0 7 5 Ammonium perchlorate, NH.,C10,, (orthorhombic) 7 6 Ammonium perrhenate, NH,ReO, 9 7 Ammonium phosphomolybdate tetrahydrate,

(NH.),PO.(MoO,),,-4H,0 8 10 Ammonium sulfate (mascagnite), (NH.,)jSO^

(revised) 9 8 Ammonium zirconium fluoride, (NH,),ZrF7 .... 6 14 Antimony, Sb 3 14 Antimony(III) fluoride, SbF, 2m 4

Antimony(III) iodide, Sbl, 6 16 Antimony(III) oxide (senarmontite), Shfi,

(cubic) 3 31

Antimony(IIl) oxide, valentinite, Sb^O,

(orthorhorabic) 10 6 Antimony(IV) oxide (cervantite), Sb^O^ 10 8 Antimony(V) oxide, Sb^O, 10 10 Antimony scandium, SbSc 4m 44

Antimony selenide, Sb^Se, 3m 7 Antimony (III) sulfide (stibnite), Sb,S, 5 6 Antimony telluride, Sb^Te, 3m 8 Antimony terbium, SbTb 5m 61

Anumony thorium, SbTh 4m 44

Antimony thulium, SbTm 4m 45

Antimony ytterbium, SbYb 4m 45

Antimony yttrium, SbY 4m 46

Arsenic, As 3 6 Arsenic(III) iodide, Asl, 6 17 Arsenic trioxide (arsenolite), As,0, (cubic) . . 1 51 Arsenic trioxide, claudetite, As,0, (monoclinic) 3m 9 Barium, Ba 4 7 Barium aluminum oxide, BaAl^O., 5m 11 Barium arsenate, Ba,(As04)j 2m 6 Barium boron oxide, high form, BaB,0, 4m 4 Barium boron oxide, BaB^O, 4m 6 Barium bromide monohydrate, BaBrj-HjO 3m 10 Barium carbonate (witherite), BaCO, (orthorhombic) 2 54 Barium carbonate, BaCO,(cubic) at 1075 °C . . 10 11 Barium fluoride, BaFj 1 70

Barium fluosilicate, BaSiF„ 4m 7 Barium molybdate, BaMoO^ 7 7 Barium nitrate (nitrobarite), Ba(NO,), 1 81

Barium perchlorate trihydrate, Ba(C10J,- 3H,0 2m 7 Barium peroxide, BaO, 6 18 Barium selenide, BaSe 5m 61

Barium stannate, BaSnO, 3m 11 Barium sulfate (barite), BaSO„ 3 65

89
CUMULATIVE INDEX-Continued

Vol. or sec. Barium sulfide, BaS 7 Barium titanate, BaTiO, 3 Barium tungstate, BaWO^ 7 Barium zirconate, BaZrOj 5 Beryllium aluminum oxide (chrysoberyl),

BeAljC 9 Beryllium aluminum silicate, beryl,

Be,Al,(SiO,)^ 9 Beryllium chromium oxide, BeCrjO,, 10 Beryllium cobalt, BeCo 5m

Beryllium germanate, Be,GeO, 10 Beryllium orthosilicate, phenacite, BeSi,0. . . 8 Beryllium oxide (bromellite), BeO 1 Beryllium palladium, BePd 5m

Bis (o-dodecacarborane), QBjoHjj 6m

Bismuth, Bi 3 Bismuth cerium, BiCe 4m

Bismuth dysprosium, BiDy 4m

Bismuth erbium, BiEr 4m

Bismuth fluoride, BiF, Im Bismuth holmium, BiHo 4m

Bismuth(III) iodide, Bil, 6 Bismuth lanthanum, BiLa 4m

Bismuth neodymium, BiNd 4m

Bismuth orthophosphate, BiPO,, (monoclinic) 3m

Bismuth orthophosphate, BiPO„ (trigonal) .... 3m

Bismuth orthovanadate, low form, BiVO,,

(tetragonal) 3m

Bismuth orthovanadate, high form, BiVO,,

(monoclinic) 3m

Bismuth oxybromide, BiOBr 8 Bismuth oxychloride (bismoclite), BiOCl .... 4 Bismuth oxyiodide, BiOI 9 Bismuth praseodymium, BiPr 4m

Bismuth sulfide (bismuthinite), Bi^S, (revised) 5m

Bismuth telluride, BiTe 4m

Bismuth telluride (tellurobismuthite), Bi,Te, 3m

Bismuth trioxide (bismite), alpha Bi^O, 3 Cadmium, Cd 3 Cadmium bromide, CdBr^ 9 Cadmium carbonate (otavite), CdCO, 7 Cadmium cerium, CdCe 5m

Cadmium chloride, CdClj 9 Cadmium chromite, CdCr,0. 5m

Cadmium cyanide, Cd(CN)j 2m

Cadmium lanthanum, CdLa 5m

Cadmium molybdate, CdMoO, 6 Cadmium oxide, CdO 2 Cadmium perchlorate hexahydrate,

Cd(C10J,-6H,0 3m

Cadmium praseodymium, CdPr 5m

Cadmium selenide, CdSe (hexagonal) 7 Cadmium sulfate, CdSO„ 3m

Cadmium .sulfate hydrate, 3CdS04 -SHjO 6m

Cadmium sulfate monohydrate, CdSO^.HjO ... 6m

Cadmium sulfide (greenockite), CdS 4 Cadmium telluride, CdTe 3m

Cadmium tungstate, CdWO,, 2m

tri-Calcium aluminate, 3CaO-AljO, 5 Calcium aluminate, 12CaO-7,Al,0, 9 Calcium aluminum germanate, Ca,Al,(GeO,), 10 Calcium bromide hexahydrate, CaBr,-6H,0 ... 8

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

Vol. or P^g^ sec. Page

8 Calcium carbonate (aragonite), CaCO, (or- 45 thorhombic) 3 53

9 Calcium carbonate (calcite) CaCO, (hexagonal) 2 51

8 Calcium chromate, CaCrO, 7 13 Calcium chromium germanate, Ca3Cr2(Ge04)3 10 16

10 Calcium chromium silicate (uvarovite),

Ca,Cr,(SiO,), 10 17

13 Calcium fluoride (fluorite), CaP^ 1 69

12 Calcium fluoride phosphate (fluorapatite),

62 Ca5F(POj, 3m 22

13 Calcium formate, Ca(HCGj), 8 16

11 Calcium gallium germanate, Ca3Ga2(GeO,)3 .. . 10 18 36 Calcium hydroxide (portlandite), Ca(OH)j .... 1 58 62 Calcium iron germanate, Ca3Fe2(GeO,), 10 19

'7 Calcium iron silicate (andradite), 20 Ca,Fe,Si,0,, 9 22 46 Calcium magnesium silicate (diopside), 47 CaMg(SiO,), 5m 17 47 Calcium molybdate (powellite), CaMoO. 6 22

7 Calcium nitrate, Ca (NO,), 7 14

48 Calcium oxide, CaO 1 43

20 Calcium selenide, CaSe 5m 64

48 Calcium sulfate (anhydrite), CaSO. 4 65

49 Calcium sulfide (oldhamite), CaS 7 15

11 Calcium telluride, CaTe 4m 50

13 Calcium tungstate, scheelite, CaWO, 6 23 Carbon, diamond, C 2 5 14 Cerium, antimony CeSb 4m 40

Cerium arsenate, CeAsO^ 4m 8

14 Cerium arsenide, CeAs 4m 51

14 Cerium(III) chloride, CeCl, Im 8 54 Cerium(III) fluoride, CeF, 8 17

16 Cerium magnesium, CeMg 5m 65

49 Cerium magnesium nitrate 24-hydrate,

13 Ce,Mg,(N03),,-24H,0 10 20

50 Cerium niobium titanium oxide (eschynite),

16 CeNbTiO, 3m 24

16 Cerium nitride, CeN 4m 51

10 Cerium(IV) oxide (cerianite), CeO, 1 56

17 Cerium phosphide, CeP 4m 52

11 Cerium(III) vanadate, CeVO^ Irn 9 63 Cerium zinc, CeZn 5m 65

18 Cesium aluminum sulfate dodecahydrate,

16 CsAKSOJ,- 12H,0 6 25

8 Cesium bromate, CsBrOj 8 18 63 Cesium bromide, CsBr 3 49

21 Cesium bromoosmate(IV), Cs-,OsBr^ 2m 10 27 Cesium bromoplatinate, Cs^PtBr^ 8 19 Cesium bromoselenate , Cs,SeBr^ 8 20

19 Cesium bromotellurate, Cs^TeBr, 9 24

64 Cesium cadmium trichloride, CsCdCl,

12 (hexagonal) 5m 19 20 Cesium calcium trichloride, CsCaCl, 5m 21

8 Cesium chlorate, CsClO, 8 20

10 Cesium chloride, CsCl 2 44

15 Cesium chloroosmate(IV), Cs,OsCl„ 2m 11 21 Cesium chloroplatinate, CSjPtCl^ 5 14

8 Cesium chlorostannate, Cs^SnCl^ 5 16

10 Cesium chromate, Cs^CrO, 3m 25

20 Cesium chromium sulfate dodecahydrate,

15 CsCr(SO,),- I2H2O 8 21 15 Cesium cobalt (II) trichloride, CsCoCl, 6m 11 Cesium copper(II) trichloride, CsCuCl, 5m 22

Cesium dichloroiodide. CsICl, 3 50

Cesium fluoantimonate, CsSbF^ 4m 9 Cesium fluoborate, CsBF, 8 22

90
CUMULATIVE INDEX-Continued

Vol. or sec. Cesium fluogermanate, CSjGeF^ 5 Cesium fluoplatinate, Cs,PtF^ 6 Cesium fluoride, CsP 3m

Cesium fluosilicate, CSjSiF^ 5 Cesium gallium sulfate dodecahydrate,

CsGa(SOJ,- 12H,0 8 Cesium iodide, Csl 4 Cesium iron sulfate dodecahydrate,

CsFe(S0J,.12H,0 6 Cesium lead(II) trichloride, CsPbCl,

(tetragonal) 5m

Cesium nickel (II) trichloride, CsNiCl, 6m

Cesium nitrate, CsNO, 9 Cesium perchlorate, CsC10„, (orthorhombic) Im Cesium strontium trichloride, CsSrCl, 6m

Cesium sulfate Cs,SO, 7 Cesium vanadium sulfate dodecahydrate,

CsV(S0J,-12H,0 Im Chromium, Cr 5 Chromium(III) fluoride trihydrate, CrF,-3H,0 5m

Chromium iridium 3:1, Cr,Ir 6m

Chromium orthophosphate, alpha, CrPO, 2m

Chromium orthophosphate, beta, CrPO, 9 Chromium(III) oxide, Cr^O, 5 Chromium rhodium 3:1, Cr,Rh 6m

Chromium silicide, Cr,Si 6 Cobalt, Co (cubic) 4m

Cobalt aluminum oxide, CoAl,0, 9 Cobalt antimony oxide. CoSb,Of, 5m

Cobalt arsenide (skutterudite), CoAs, 10

Cobalt(II) carbonate (spherocobaltite).

Coco, 10 Cobalt diarsenide, CoAs, (revised) 4m

Cobalt fluosilicate hexahydrate,

CoSiF,-6H,0 3m

Cobalt gallate, CoGa,0. 10 Cobalt germanate, COjGeO, 10 Cobalt iodide, Col, 4m

Cobalt iron arsenide (safflorite), CoFeAs. ... 10 Cobalt mercury thiocyanate, Co[Hg(CNS)J ... 2m

Cobalt(ll) oxide, CoO 9 Cobalt(II, III) oxide, Co,0. 9 Cobalt perchlorate hexahydrate,

Co(C10J,.6H,0 3m

Cobalt silicate, Co^SiO^ (orthorhombic) 4m

Cobalt sulfate, beta, CoSO, 2m

Cobalt titanate, CoTiO, 4m

Cobalt tungstate, CoWO^ 4m

Copper, Cu 1 Copper antimony oxide, CuSb,0^ 5m

Copper(I) bromide, CuBr 4 Copper carbonate, basic, azurite,

CU,(OH),(CO,), 10 Copper carbonate, basic, (malachite),

CU,(OH),CO, 10 Copper(I) chloride (mantokite), CuCl 10 Copper(I) iodide (marchite), Cul 4 Copper (I) oxide (cuprite), Cu,0 2 Copper(II) oxide (tenorite), CuO 1 Copper sulfate (chalcocyanite), CuSO„ 3m

Copper(II) sulfide (covellite), CuS 4 Dysprosium antimony, DySb 4m

Dysprosium arsenate, DyAsO^ 3m

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

Vol. or Page sec. Page

17 Dysprosium arsenide, DyAs 4m 53

27 Dysprosium gallium o.xide, Dy,Ga,(GaOJ, .... 2m 15 26 Dysprosium nitride, DyN 4m 53

19 Dysprosium sesquioxide, Dy^O, 9 30

Dysprosium telluride, DyTe 4m 54

23 Dysprosium vanadate, DyVO^ 4m 15 47 Erbium antimony, ErSb 4m 41

Erbium arsenate, ErAsO„ .3m 31

28 Erbium arsenide, ErAs 4m 54

Erbium gallium oxide, Er,Ga,(GaOJ, Im 12

24 Erbium manganite, ErMnO, 2m 16

12 Erbium nitride, ErN 4m 55

25 Erbium phosphate, ErPO„ 9 31

10 Erbium sesquioxide, Er^O, 8 25

13 Erbium telluride, ErTe 4m 55

17 Erbium vanadate. ErVO,. 5m 29 Europium arsenate, EuAsO, 3m 32

11 Europium(III) chloride, EuCl, Im 13 20 Europium gallium oxide, Eu,Ga,(GaO^), 2m 17 25 Europium nitride, EuN 4m 56

14 Europium oxide, EuG 4m 56

12 Europium oxychloride, EuOCl Im 13 26 Europium(III) vanadate, EuVO^ 4m 16

22 Gadolinium antimony, GdSb 4m 42

15 Gadolinium arsenate, GdAsO. 4m 17 29 Gadolinium arsenide, GdAs 4m 57

10 Gadolinium fluoride, GdF, Im 14 27 Gadolinium gallium oxide, Gd,Ga,(GaO.), .... 2m 18 26 Gadolinium indium, Gdin 5m 67

21 Gadolinium nitride, GdN 4m .57

Gadolinium oxide, Gd^O, Im 16

24 Gadolinium oxychloride, GdOCl Im 17

10 Gadolinium vanadate, GdVO„ 5m 30

Gallium, Ga 2 9 27 Gallium arsenide, GaAs 3m 33

27 Gallium antimonide, GaSb 6 30

27 Gallium oxide, alpha, Ga,0, 4 25

52 Gallium phosphate (o<-quartz type), GaPO^. .. . 8 27 28 Germanium, Ge 1 18

13 Germanium dioxide, GeO-, (hexagonal)

28 (low form) 1 51

29 Germanium dioxide, GeO^ (tetragonal)

(high form) 8 28

28 Germanium iodide, Gel, 4m 58

11 Germanium(lV) iodide, Gel„ 5 25

14 Gold, Au 1 33

13 Gold antimony 1:2 (aurostibite), AuSb, 7 18

13 Gold dysprosium, AuDy 5m 66

15 Gold(I) cyanide, AuCN 10 33

27 Gold holmium, AuHo 5m 68 36 Gold magnesium, AuMg 6m 83

Gold niobium 1:3, AuNb, 6m 16 30 Gold tin, 1:1 AuSn 7 19 Gold titanium 1:3, AuTi, 6m 17 31 Gold vanadium 1:3, AuV, 6m 18 35 Hafnium, Hf 3 18 33 Holmium arsenate, HoAsO^ 3m 34

^3 Holmium ethylsulfate nonahydrate,

Hol(C,H5)SOjj-9H,0 Im 18 Holmium nitride, HoN 4m 58

^3 Holmium selenide, HoSe 4m 59

'^^ Holmium sesquioxide, Ho,0, 9 32

30 Holmium vanadate, HoVO, 4m 18 Indium, In 3 12 Indium antimony, InSb 4 73

Indium arsenide, InAs 3m 35

91
CUMULATIVE ENDEX-Continued

FeAs,

Pe,0,

Indium oxide, In20,

Indium phosphate, InPO,, . Iodic acid, HIO,

Iodine, I^ Iridium, Ir Iridium dioxide, IrO^ Iridium niobium 1:3, IrNb,

Iridium titanium 1:3, IrTi,

Iridium vanadium 1:3, IrVj

Iron, alpha Fe

Iron arsenide, FeAs

Iron arsenide (loellingite). Iron bromide, FeBr,

Iron iodide, Fel^

Iron(II,III) oxide (magnetite).

Iron sulfide (pyrite), FeSj

Lanthanum antimony, LaSb

Lanthanum arsenate, LaAsO,

Lanthanum arsenide, LaAs

Lanthanum borate, LaBO,

Lanthanum chloride, LaCl,

Lanthanum fluoride, LaF,

Lanthanum magnesium, LaMg

Lanthanum magnesium nitrate 24-hydrate,

LajMg3(N03),,.24H20

Lanthanum niobium titanium oxide, LaNbTiO„

Lanthanum nitride, LaN

Lanthanum oxide, La^O,

Lanthanum oxy chloride, LaOCl

Lanthanum phosphide, LaP

Lanthanum selenide, LaSe

Lanthanum zinc, LaZn

Lead, Pb

Lead boron oxide, PbB.O,

Lead bromide, PbBr^

Lead carbonate (cerrussite), PbCO,

Lead chloride (cotunnite), PbCl^

Lead formate, Pb(HCO,),

Lead fluochloride (matlockite), PbFCl

Lead fluoride, alpha PbFj (orthorhombic) . . . . Lead fluoride, beta PbF, (cubic)

Lead(II) iodide, Pbl,

Lead moiybdate (wulfenite), PbMoO,

Lead monoxide (litharge), PbO (red) tetragonal

Lead monoxide (massicot), PbO (yellow)

(orthorhombic)

Lead nitrate, Pb(NO,)j

Leaddl, III) oxide (minium), Pb,0„

Lead oxybromide, Pb,0,Brj

Lead phosphate hydrate, PbJPOJjOH

Lead selenide (clausthalite), PbSe

Lead sulfate (anglesite), PbSO^

Lead sulfide (galena). PbS

Lead titanate, PbTiO,

Lead tungstate (stolzite), PbWO, (tetragonal)

(revised)

Lithium arsenate, LijAsO,

thium barium trifluoride, LiBaF,

thium bromide, LiBr

thium chloride, LiCi

Lithium fluoride, Li F

Lithium iodate, LilO,

Vol. or sec

Page

5 26

8 29

5 28

3 16

4 9 4m 19 6m 19 6m 20 6m 21

4 3 Im 19 10 34

4m 59 4m 60

5m 31

5 29

4m 42

3m 36

4rn fin Im 20 Im 20

7 21 5m 69

Im 22 3m 37 4m 61

3 33

7 22 5m 69 4m 61 5m 70

1 34

4m 19

2 47

2 56

2 45

8 30

1 76

5 31

5 33

5 34

7 23

2 30

2 32

5 36

8 32 5m 32

8 33

5 38

3 67

2 18

5 39

5m 34 2m 19 5m 35

4 30

1 62

1 61

7 26

m—Monograph 2 5. A mineral name in ( ) indicates a synthetic sample.

Lithium moiybdate, Li,MoO^ (trigonal)

Lithium niobate, LiNbO,

Lithium sodium sulfate, LiNaSOj

Lithium nitrate, LiNO,

Lithium oxide, LijO

Lithium perchlorate trihydrate, LiC10,,-3H,0

Lithium phosphate, low form (lithiophosphate), Li,PO,, (orthorhombic) revised

Lithium phosphate, high form, Li,PO,,

Lithium sulfate, LijSO„

Lithium sulfate monohydrate, LijSO^-H^O ... Lithium trimetaphosphate trihydrate,

Li,P,0,-3H,0

Lithium tungstate, Li^WO^ (trigonal)

Lithium tungstate hemihydrate, Li,W0„-'/2H,0

Lutetium arsenate, LuAsO.

Lutetium gallium oxide, Lu3Ga,(GaOJ,

Lutetium manganite, LuMnO,

Lutetium nitride, LuN

Lutetium oxide, LU2O3

Lutetium vanadate, LuVO,

Magnesium, Mg

Magnesium aluminate (spinel), MgAl^O,

Magnesium aluminum silicate (pyrope),

Mg,Al,(SiO.),

Magnesium aluminum silicate (low cordierite), Mg,Al,,Si, O,, (orthorhombic)

Magnesium aluminum silicate (high cordierite), Mg,Al^Si,0,„ (hexagonal)

Magnesium ammonium phosphate hexahydrate (struvite), MgNH,.P0^-6H,0

Magnesium boron oxide, MgjB,©, (triclinic) . . Magnesium bromide, MgBr,

Magnesium carbonate (magnesite), MgCO, . . . , Magnesium chromite (picrochromite),

MgCr.O.

Magnesium fluoride (sellaite), MgF,

Magnesium gallate, MgGajO,

Magnesium germanate, Mg^GeO, (cubic)

Magnesium germanate, Mg^GeO,, (orthorhombic)

Magnesium hydroxide (brucite), Mg(OH)j

Magnesium oxide (periclase), MgO

Magnesium selenide, MgSe

Magnesium silicate, enstatite, MgSi03

Magnesium silicate (forsterite), Mg^SiO,,

Magnesium silicate fluoride (norbergite),

Mg,SiO..MgF,

Magnesium silicate fluoride (humite),

3Mg2SiO„-MgF,

Magnesium sulfate heptahydrate (epsomite),

MgSO,-7H,0

Magnesium sulfide, MgS

Magnesium tin, MgjSn

Magnesium titanate (geikielite), MgTiO,

Magnesium tungstate. MgWO,,

Manganese aluminate (galaxite), MnAl^O, . . . . Manganese bromide, MnBr,

Manganese(II) carbonate (rhodochrosite),

MnCO,

Manganese ferrite (jacobsite), MnFe,©,

Manganese iodide, Mnl,

Manganese(II) oxide (manganosite), MnO

Manganese(III) oxide (partridgeite), MUjO, . . . Manganese selenide, MnSe

Manganese sulfide (alabandite), alpha MnS. . .

Vol. or sec. Page Im 23 6m

6m 24

7 27 Im 25

8 34

4m 21 3m 39 6m 26

4m 22

2m 20 Im 25

2m 20 5m 36

2m 22

2m 23 4m 62 Im 27 5m 37

1 10

2 35

4m 24

Im 28

Im 29

3m 41 4m 25

4m 62

7 28

9 34

4 33

10 36

10 37

10 38

/>0 on

1 37 5m (U 6 32

1 83

10 39

Im 30

7 30

7 31

5 41

5 43

1 84

9 35 4m 63

7 32

9 36

4m 63

5 45

9 37

10 41

4 11

92
CUMULATIVE INDEX-Continued

Vol. or sec. Page

Manganese(II) tungstate (huebnerite), MnWO^ 2m 24

Mercury magnesium, HgMg 6m 84

Mercury(I) bromide, Hg,Br3 7 33 Mercury(I) ciiloride (calomel), Hg^Cl, 1 72

Mercury(II) chloride, HgCl, 1 73

Mercury(II) cyanide, Hg(CN)2 6 35

IVlercury(II) fluoride, HgFj 2m 25

Mercury(I) iodide, Hgl 4 49

Mercury(II) iodide, Hgl^ 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 Metaboric acid, HBO, (cubic) 4m 27 Molybdenum. Mo 1 20 Molybdenum disulfide (molybdenite), MoS, ... 5 47 Molybdenum osmium 3:1, Mo,Os 6m 28 Molybdenum trioxide (molybdite), MoO, 3 30

2-Naphthylamine, n-phenyl— , C,^H,,N 6m 29 Neodymium antimony, NdSb 4m 43

Neodynium arsenate, NdAsO, 4m 28 Neodymium arsenide, NdAs 4m 64

Neodymium borate, NdBO, Im 32

Neodymium chloride, NdCl, Im 33

Neodymium ethylsulfate nonahydrate,

NdL(C,H,)S0j,-9H,0 9 41 Neodymium fluoride, NdF, 8 36 Neodymium gallium oxide, Nd,Ga2(GaO„)3 .... Im 34

Neodymium oxide, Nd^O, 4 26

Neodymium oxychloride, NdOCl 8 37 Neodymium selenide. NdSe 5m 71 Neodymium vanadate, NdVO< 4m 30

Neptunium nitride, NpN 4m 64

Nickel, Ni 1 13 Nickel aluminate, NiAl,0„ 9 42 Nickel arsenic 1;2 (rammelsbergite), NiAs,. . . 10 42 Nickel arsenic sulfide (gersdorffite), NiAsS . . Im 35

Nickel(II) carbonate, NiC03 (trigonal) Im 36

Nickel ferrite (trevorite), NiFCjO^ 10 44

Nickel fluosilicate hexahydrate, NiSiF,.6H,0 8 38

Nickel gallate, NiGajO„ 10 45

Nickel germanate, NijGeO, 9 43

Nickel(II) oxide (bunsenite), NiO 1 47

Nickel sulfate, NiSO„ 2m 26 Nickel sulfate hexahydrate (retgersite),

NiSO,-6H,0 7 36 Nickel sulfide, millerite, NiS Im 37 Nickel tungstate, NiWO. 2m 27 Niobium osmium 3:1, Nb^Os 6m 30 Niobium platinum 3:1, Nb,Pt 6m 31 Niobium silicide, NbSi^ 8 39

Osmium, Os 4 8 Osmium titanium, OsTi 6m 85

Palladium, Pd 1 21 Palladium hydride, PdH(,.„5 5m 72

Palladium oxide, PdO 4 27 Palladium vanadium 1:3, PdV, 6m 32

Platinum, Pt 1 31 Platinum titanium 1:3, PtTi, 6m 33

Platinum vanadium 1:3, PtV, 6m 34

Plutonium arsenide, PuAs 4m 65

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

Vol. or sec. Page

Plutonium phosphide, PuP 4m 65

Plutonium telluride, PuTe 4m 66

Potassium acid phthalate,

C,H.(COOH)(COOK) 4m 30

(alum), KA1(S0J,-12H,0 6 36

Potassium borohydride, KBH^ 9 44

Potassium bromate. KBrO, 7 38

Potassium bromide, KBr 1 66

Potassium bromoplatinate, K,PtBr, 8 40

Potassium bromoselenate, K,SeBr„ 8 41 Potassium cadmium trichloride, KCdCl, 5m 38

Potassium chlorate, KCIO, 3m 42

Potassium chloride (sylvite), KCl 1 65

Potassium chloroplatinate, K,PtCl^ 5 49

Potassium chlororhenate, K^ReCl^ 2m 28

Potassium chlororuthenate(IV), K^RuCl^ 10 46

Potassium chlorostannate, K^SnCl^ 6 38

Potassium chromium sulfate dodecahydrate,

KCr(S0J,-12H,0 6 39 Potassium cobalt (II) sulfate, K,Co,(SOJ, ... 6m 35

Potassium cobalt (II) trifluoride, KCoF, 6m 37

Potassium cobaltinitrite, K,Co(N02)s 9 45

Potassium copper (II) trifluoride, KCuF, 6m 38

Potassium cyanate, KCNO 7 39

Potassium cyanide, KCN 1 77 Potassium dihydrogen arsenate, KH^AsO, .... Im 38

Potassium dihydrogen phosphate, KH^PO^ ... 3 69 Potassium fluogermanate, K^GeF^ 6 41 Potassium fluoplatinate, K^PtF,; 6 42

Potassium fluoride, KF 1 64

Potassium fluosilicate (hieratite), K^SiF^ . ... 5 50

Potassium fluotitanate, K^TiF^ 7 40

Potassium heptafluozirconate, K,ZrF, 9 46

Potassium hydroxide, KOH at 300 °C 4m 66

Potassium hydroxy-chlororuthenate,

K,Ru,Cl,„0-H,0 10 47

Potassium iodide, KI 1 68

Potassium iron (II) trifluoride, KFeF, 6m 39

Potassium lithium sulfate, KLiSO. 3m 43

Potassium magnesium sulfate (langbeinite),

KjMgj (SO4), 6m 40

Potassium magnesium trifluoride, KMgF, .... 6m 42

Potassium manganese (II) sulfate (manganolangbeinite), K2Mn5(S04), 6m 43

Potassium manganese (II) trifluoride, KMnP, 6m 45

Potassium nickel (II) sulfate, K,Ni,(SOJ, 6m 46

Potassium nitrate (niter), KNO, 3 58

Potassium nitroso chlororuthenate,

K^RuCl^NO 2m 29

Potassium perchlorate, KCIO, 6 43

Potassium perchromate, K,CrO, 3m 44

Potassium periodate, KIO, 7 41 Potassium permanganate, KMnO„ 7 42

Potassium perrhenate, KReO„ 8 41 Potassium phosphomolybdate tetrahydrate,

K,PO.(MoO,),,-4H,0 8 43

Potassium sodium sulfate, K j,Naj j5 SO„ .... 6m 48

Potassium sodium sulfate, KNaSO„ 6m 50

Potassium sodium sulfate (aphthitalite),

K,Na(SO,)2 6m 52

Potassium sulfate (arcanite), KjSO. 3 62

Potassium thioqyanate, KCNS 8 44

Potassium zinc decavanadate 16 hydrate,

K,Zn,V„0,,16HjO 3m 45

Potassium zinc fluoride, KZnF, 5 51 Potassium zinc sulfate, K3Zn,(SO,), 6m 54
CUMULATIVE INDEX-Continued

Vol. or sec. Praseodymium antimony, PrSb 4m

Praseodymium arsenate, PrAsO^ 4m

Praseodymium arsenide, PrAs 4m

Praseodymium ctiloride, PrCl, Im Praseodymium fluoride, PrF, 5 Praseodymium oxychloride, PrOCl 9 Praseodymium sulfide, PrS 4m

Praseodymium vanadate, PrVO. 5m

Praseodymium zinc, PrZn 5m

Rhenium, Re 2 Rhodium, Rh 3 Rhodium vanadium 1:3, RhV, 6m

Rubidium aluminum sulfate dodecahydrate,

RbAl(SOJ,-12H,0 6 Rubidium amide, RbNH^ 5m

Rubidium bromate, RbBrO, 8 Rubidium bromide, RbBr 7 Rubidium bromotellurate, Rb^TeBr^ 8 Rubidium cadmium trichloride, high form,

RbCdCl, (tetragonal) 5m

Rubidium cadmium trichloride, low form,

RbCdCl, (orthorhombic) 5m

Rubidium chlorate, RbClO, 8 Rubidium chloride, RbCl 4 Rubidium chloroplatinate, Rb^PtCl^ 5 Rubidium chlorostannate, RbjSnCl^ 6 Rubidium chlorotellurate, RbjTeCl^ 8 Rubidium chromate, RbjCrO^ 3m

Rubidium chromium sulfate dodecahydrate,

RbCr(SOJ,- 12HjO 6 Rubidium cobalt (II) trichloride, RbCoCl3 6m

Rubidium fluoplatinate, RbjPtF^ 6 Rubidum fluosilicate, RbjSiF^ 6 Rubidium iodide. Rbl 4 Rubidium manganese(II) trifluoride, RbMnF, . . 5m

Rubidium nickel (II) trichloride, RbNiCl3 .... 6m

Rubidium nitrate, RbNO, (trigonal) 5m

Rubidium perchlorate, RbClO^ 2m

Rubidium periodate, RbIO„ 2m

Rubidium sulfate, Rb^SO. 8 Ruthenium, Ru 4 Ruthenium titanium, RuTi 6m

Samarium arsenate, SmAsO,, 4m

Samarium arsenide, SmAs 4m

Samarium chloride, SmCl, Im Samarium fluoride, SmP, Im Samarium gallium oxide, Sm,Ga,(GaOJ, Im Samarium oxide, Sm^O, (cubic) 4m

Samarium oxychloride, SmOCl Im Samarium vanadate, SmVO„ 5m

Scandium arsenate, ScAsO^ 4m

Scandium arsenide, ScAs 4m

Scandium oxide, Sc,0, 3 Scandium phosphate, ScPO^ 8 Selenium, Se 5 Selenium dioxide (selenolite), SeO, 1 Silicon, Si 2 Silicon dioxide, alpha or low quartz, SiO,

(hexagonal) 3 Silicon dioxide (alpha or low cristobalite),

SiO, (tetragonal) (revised) 10 Silicon dioxide (beta or high cristobalite),

SiO, (cubic) 1

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

Vol. or Page sec. Page

43 Silver, Ag 1 23

32 Silver antimony sulfide, AgSbS, (cubic) 5m 48

67 Silver antimony sulfide (miargyrite). 39 AgSbS, (monoclinic) 5m 49 52 Silver antimony sulfide (pyrargyrite), Ag,SbS,

47 (trigonal) 5m 51 67 Silver antimony telluride, AgSbTe, 3m 47 40 Silver arsenate, Ag, AsO, 5 56

72 Silver bromate, AgBrO, 5 57

13 Silver bromide (bromyrite), AgBr 4 46

9 Silver carbonate, Ag^CO, Im 44

56 Silver chlorate, AgClO, 7 44

Silver chloride, (cerargyrite), AgCl 4 44

44 Silver dysprosium, AgDy 5m 66

73 Silver erbium, AgEr 5m 67

45 6ra 87

43 Silver holmium, AgHo 5m 68

46 Silver iodide (iodyrite), Agl (hexagonal) 8 51

Silver iodide, gamma, Agl (cubic) 9 48

43 Silver molybdate, Ag,MoO. 7 45

Silver neodymium, AgNd 5m 71

41 Silver nitrate, AgNO, 5 59

47 Silver nitrite, AgNO, 5 60

41 Silver oxide, Ag,0 Im 45

53 Silver(II) oxynitrate, Ag,0,NO, 4 61

46 Silver periodate, AglO^ 9 49 48 Silver perrhenate, AgReO, 8 53 46 Silver phosphate, Ag,PO. 5 62

5m 73

47 Silver selenate, Ag^SeO, 2m 32

57 Silver subfluoride, Ag,F 5m 53

48 Silver sulfate, Ag,SO, 7 46

49 Silver sulfide (argentite), Ag,S 10 51

43 Silver terbium, AgTb 5m 74

44 Silver thulium, AgTm 5m 74

58 Silver yttrium, AgY 5m 75

45 Sodium acid fluoride, NaHF, 5 63

30 Sodium borohydride, NaBH„ 9 51

31 Sodium bromate, NaBrO, 5 65

48 Sodium bromide, NaBr 3 47

5 Sodium calcium sulfate (glauberite),

86 Na,Ca<SO,), 6m 59

33 Sodium carbonate monohydrate (thermonatrite). 68 Na,CO,-H,0 8 54

40 Sodium chlorate, NaClO, 3 51

41 Sodium chloride (halite), NaCl 2 41 42 Sodium cobalt (II) sulfate tetrahydrate,

34 Na,C0(SO4)2-4H2O 6m 61

43 Sodium cyanate, NaCNO 2m 33

47 Sodium cyanide, NaCN (cubic) 1 78

35 Sodium cyanide, NaCN (orthorhombic) at 6 ° C 1 79 68 Sodium fluoride (villiaumite), NaF 1 63 27 Sodium hexametaphosphate hexahydrate,

50 Na,Pp,..6H,0 5m 54

54 Sodium hydroxide, NaOH at 300 ° C 4m 69 53 Sodium iodate, NalO, 7 47

6 Sodium iodide, Nal

Sodium magnesium aluminum boron hydroxy

4 31

24 silicate, dravite, NaMg, Al^B,Si^O„(OH),, .. Sodium magnesium sulfate tetrahydrate.

3m 47

48 bloedite, Na,Mg(S04),-4H,0 6m 63

Sodium manganese (II) trifluoride, NaMnF, . .6m 65

42 Sodium mercury (II) trichloride dihydrate,

NaHgCl,-2H,0 6m 66

Sodium molybdate, Na^MoO^ Im 46

94
CUMULATIVE INDEX-Continued

Vol. or sec. Page

Sodium nickel (II) sulfate tetrahydrate,

Na,Ni(SO,)5-4H,0 6m 68

Sodium nitrate (soda-niter), NaNO, 6 50

Sodium nitrite, NaNO^ 4 62

Sodium orthotungstate(IV) dihydrate,

Na,WO,-2H,0 2m 33

Sodium oxalate, Na,C,0^ 6m 70

Sodium perchlorate, NaClO. (orthorhombic) ... 7 49

Sodium periodate, NalO. 7 48

Sodium sulfate (thenardite), Na^SO^ 2 59

Sodium sulfite, Na.SO, 3 60

Sodium tetrametaphosphate tetrahydrate,

alpha, Na^Pp„-4H,0 (monoclinic) 10 52

Sodium tetrametaphosphate tetrahydrate, beta,

Na^P^0,,-4H,0 (triclinic) 2m 35

Sodium trimetaphosphate, Na,P,0, 3m 49

Sodium trimetaphosphate monohydrate,

Na,P30,-HjO 3m 50

Sodium tungstate, NajWO„ Im 47

Sodium zinc sulfate tetrahydrate,

Na;Zn(SO,)j-4H30 6m 72

Sodium zinc trifluoride, NaZnF, 6m 74

Strontium arsenate, Sr3(AsOJj 2m 36

Strontium boron oxide, SrB^O, 3m 53

Strontium boron oxide, SrB^O, 4m 36 Strontium bromide hexahydrate, SrErj-eH^O. . . 4 60

Strontium carbonate (strontianite), SrCO, .... 3 56

Strontium chloride, SrCl^ 4 40

Strontium chloride hexahydrate, SrClj-6HjO . . 4 58

Strontium fluoride, SrF^ 5 67

Strontium formate, Sr (CHOj)^ 8 55

Strontium formate dihydrate, Sr(CHO,)j -211,0

(orthorhombic) 8 56

Strontium indium hydroxide, Sr3lnj(OH),j 6m 76

Strontium iodide hexahydrate, Srl^-eHjO 8 58 Strontium molybdate, SrMoO^ 7 50

Strontium nitrate, Sr(N0,)3 1 80

Strontium oxide, SrO 5 68

Strontium peroxide, SrO, 6 52

Strontium scandium oxide hexahydrate,

SrjScOe-eHjO 6m 78

Strontium sulfate (celestite), SrSO^ 2 61

StronUum sulfide, SrS 7 52

Strontium telluride, SrTe 4m 69

Strontium titanate, SrTiO, 3 44

Strontium tungstate, SrWO,. 7 53

Strontium zirconate, SrZrO, 9 51 Sulfamic acid, NH,SO, 7 54

Sulfur, S (orthorhombic) 9 54

Tantalum, Ta 1 29 Tantalum Silicide, TaSi, 8 59 Tellurium, Te 1 26

Tellurium(IV) oxide (paratellurite), TeO,

(tetragonal) 7 56

Tellurium(IV) oxide, paratellurite, TeO,

(tetragonal) 10 55

Tellurium(IV) oxide, tellurite, TeO, (orthorhombic) 9 57 Terbium arsenate, TbAsO^ 3m 54

Terbium arsenide, TbAs 5m 75

Terbium nitride, TbN 4m 70

Terbium phosphide, TbP 5m 76

Terbium selenide, TbSe 5m 76

Terbium sulfide, TbS ... 5m 77

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

Vol. or sec. Page

Terbium telluride, TbTe 5m 77 Terbium vanadate, TbVO^ 5m 56

Thallium aluminum sulfate dodecahydrate,

T1A1(S0J,.12H,0 6 53

Thallium(I) arsenate, TljAsO, 2m 37

Thallium(I) bromate, TlBrO, 8 60

Thallium bromide, TlBr 7 57

Thallium(I) chlorate, TICIO, 8 61

Thallium(I) chloride, TlCl 4 51

Thallium chloroplatinate, Tl,PtCl, 5 70

Thallium chlorostannate, Tl,SnCls 6 54

Thallium chromate, Tl,CrO, 3m 54

Thallium chromium sulfate dodecahydrate,

TlCr(SOJ,-12H,0 6 55

Thallium fluosilicate, Tl^SiF^ 6 56

Thallium gallium sulfate dodecahydrate,

TlGa(S0,),-12H,0 6 57

Thallium(I) iodate, TlIO, 8 62

Thallium(I) iodide. Til (orthorhombic) 4 53

Thallium(I) nitrate, TINO, 6 58

Thallium(III) oxide, T1,0, 2 28

Thallium(I) percholorate, T1C10„ 2m 38

Thallium(I) phosphate, Tl,PO„ 7 58

Thallium(III) phosphate, TlPO, 7 59

Thaliium(I) sulfate, T1,S0„ 6 59 Thallium(I) thiocyanate, TICNS 8 63

Thallium(I) tungstate, Tl,WO,. Im 48

Thorium arsenide, ThAs 4m 70

Thorium oxide (thorianite), ThO, 1 57 Thulium arsenate, TmAsO, 3m 56

Thulium arsenide, TmAs 4m 71 Thulium nitride, TmN 4m 71

Thulium sesquioxide, Tm,0, 9 58

Thulium telluride, TmTe 4m 72

Thulium vanadate, TmVO^ 5m 57

Tin, alpha, Sn (cubic) 2 12

Tin, beta, Sn (tetragonal) 1 24

Tin arsenide, SnAs .• 4m 37

Tin(II) fluoride, SnF, 3m 51 Tin(IV) iodide, Snl^ 5 71

Tin(II) oxide, SnO 4 28

Tin(IV) oxide (cassiterite), SnO^ 1 54

Tin(II) telluride, SnTe 7 61

Titanium, Ti 3 1 Titanium dioxide (anatase), TiO, (tetragonal) 1 46

Titanium dioxide, brookite, TiO, (orthorhombic) 3m 57

Titanium dioxide (rutile), TiO, (tetragonal) . . 1 44

Titanium(III) oxide, TiO,.,,, 9 59

Titanium silicide, TijSi, 8 64

Titanium sulfide, TiS, 4m 72

Tungsten, W 1 28 Tungsten sulfide (tungstenite), WS, 8 65

Uranium dioxide (uraninite), UO, 2 33

Uranium oxide, UO 5m 78

Uranium selenide, USe 5m 78

Uranium telluride, UTe 4m 73

Urea, CO(NH,), 7 61

Vanadium(V) oxide, 'V,0, 8 66

Ytterbium arsenate, YbAsO, 4m 38 Ytterbium arsenide, YbAs 4m 73

Ytterbium gallium oxide, Yb,Ga,(GaOJ, Im 49

Ytterbium nitride, YbN 4m 74

Ytterbium oxide, Yb,0, 6m 80

Ytterbium selenide, YbSe 5m 79

Ytterbium telluride, YbTe 5m 79

95
CUMULATIVE INDEX-Continued

Vol. or

sec. Page

Ytterbium(III) vanadate, YbVO, 5m 58

Yttrium arsenate, YAsO, 2m 39 Yttrium arsenide, YAs 4m 74

Yttrium gallium oxide, Y,Ga,(GaOJ, Im 50

Yttrium oxide, Y,0, 3 28 Yttrium oxychloride, YOCl Im 51 Yttrium phosphate (xenotime), YPO, 8 67

Yttrium sulfide, YS 5m 80

Yttrium telluride, YTe 4m 75

Yttrium vanadate, YVO^ 5m 59

Zinc, Zn 1 16 Zinc aluminate (gahnite), ZnAl^O^ 2 38

Zinc antimony oxide, ZnSbjO^ 4m 39 Zinc borate, ZnB^O. 1 83

Zinc carbonate, smithsonite, ZnCO, 8 69

Zinc cyanide, Zn(CN), 5 73

Zinc fluoride, ZnP, 6 60

Zinc fluosilicate hexahydrate, ZnSiFs-6HjO . . 8 70

Zinc germanate. Zn^GeO^ 10 56

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

Vol. or sec. Page

Zinc iodide, Znl, 9 60

Zinc orthosilicate (willemite), Zn^SiO^ 7 62

Zinc oxide (zincite), ZnO 2 25

Zinc pyrosilicate hydrate, hemimorphite,

Zn.,(OH),Si,0,-H,0 2 62

Zinc selenide, ZnSe 3 23

Zinc sulfate (zinkosite), ZnSO„ 7 64

Zinc sulfate heptahydrate (goslarite),

ZnSO.,-7HjO 8 71

Zinc sulfide (wurtzite), alpha ZnS (hexagonal) 2 14 anc sulfide (sphalerite), beta ZnS (cubic) ... 2 16

Zinc telluride, ZnTe 3m 58 Zinc tungstate (sanmartinite), ZnWO^ 2m 40 Zirconium, alpha, Zr 2 11 Zirconium dihydride, ZrH, 5m 60

Zirconium iodate, Zr(I03), Im 51 Zirconium nitride, ZrN 5m 80

Zirconium oxide, ZrO 5m 81

Zirconium phosphide, ZrP 4m 75

Zirconium silicate, zircon, ZrSiO^ 4 68

Zirconium sulfate tetrahydrate, Zr(S0«)j-4H,0 7 66

CUMULATIVE

Vol. or sec Alabandite, MnS 4 Alum, KAl(S0,)j.l2H,0 6 Ammonia-niter, NH^NO, 7 Anatase, TiO^ 1 Andradite, Ca3Fe2Si 30,2 9 Anglesite, PbSO^ 3 Anhydrite, CaSO. 4

Aphthitalite, KjNa^SO.), 6m

Aragonite, CaCO, 3 Argentite, Ag^S 10 Arcanite, K,SO„ 3 Arsenolite, As^O, 1 Aurostibite, AuSb, 7

*,Azurite, Cu,(OH),(CO,), 10 Barite, BaSO„ 3 Berlinite, AlPO^ 10

* Beryl, Be,Al2(Si03), 9 Bismite, (alpha) 6120, 3m

Bismoclite, BiOCl 4 Bismuthinite, BijS, (revised) 5m

Bloedite, Na,Mg(S0J,-4H,0 6m

Bohmite, A1,0,-H,0 3 Bromellite, BeO 1 Bromyrite, AgBr 4 Brookite, TiO, 3m

Brucite, Mg(OH)2 6 Bunsenite, NiO 1 Calcite, CaCO, 2 Calomel, Hg2Clj 1 Cassiterite, SnOj 1 Celestite, SrSO, 2 Cerargyrite, AgCl 4 Cerianite, CeO, 1

Natural mineral, m—Monograph 25.

MINERAL INDEX

Vol. or Page sec. Page

11 Cerussite, PbCO, 2 56

36 Cervantite, Sbfi^ 10 8

4 Chalcocyanite, CuSO, 3m 29 46 Chloraluminite. AlClj-eHjO 7 3 22 Chrysoberyl, BeAl20^ 9 10 67 Cinnabar, HgS 4 17 65 *Claudetite, As,0, 3m 9 52 Clausthalite, PbSe 5 38

53 Cordierite, Mg^Al^Si,0„ (orthorhombic) Im 28

51 Cordierite, Mg^Al^Si,0„-(hexagonal) Im 29 62 Corundum, Mfi, 9 3 51 Cotunnite, PbCl2 2 45

18 Covellite, CuS 4 13 30 Cristobalite, (alpha or low) SiO, (revised) ... 10 48

65 Cristobalite, (beta or high) Si02 1 42

3 Cryptohalite, (NH<)2SiPj 5 5 13 Cuprite, CU2O 2 23

17 * Diamond, C 2 5

54 *Diaspore, A\fi,-Bfi 3 41

13 Diopside, CaMg(SiO,), 5m 17

6.3 *Dravite, NaMg,Al^B,Si,0„(OH)^ 3m 47

38 »Enstatite, MgSiO, 6 32

36 Epsomite, MgSO,-7H,0 7 30

46 Eschynite, CeNbTiO, 3m 24

5'^ Ettringite, Al20,.6Ca0.3SO,.31H,0 8 3 30 Fluorapatite, Ca5F(PO,), 3m 22

4"^ Fluorite, CaF, 1 69

51 Forsterite, MgjSiO, 1 83

72 Galaxite, MnAl,0, 9 35

54 Galena, PbS 2 18 61 Gahnite, ZnAl^O, 2 38

44 Geikielite, MgTiO, 5 43

56 Gersdorffite, NiAsS Im 35

Glauberite, Na,Ca(S04), 6m 59

Goslarite, ZnSO.-7H20 8 71 Greenockite, CdS 4 15

96
CUMULATIVE MINERAL INDEX- Continued

Vol. or sec. Page

Halite, NaCl 2 41

Hemimorphite, Zn^(OH),Si,0,-H,0 2 62

Hieratite, K,SiF, 5 50

Huebnerite, MnWO, 2m 24

Humite, 3Mg,SiO,-MgFj Im 30

lodyrite, Agl 8 51

Jacobsite, MnFejO., 9 36 Langbeinite, K2Mgj(S04), 6m 40

Litharge, PbO (red) 2 ,30 Lithiphosphate, Li^PO^ 4m 21

Loellingite, PeAs, 10 34

Magnesite, MgCO, 7 28

Magnetite, Fe,0, 5m 31

Malachite, Cu,(OH),CO, 10 31

Manganolangbeinite, K^MnjCSO^), 6m 43

Manganosite, MnO 5 45

Marshite, Cul 4 38

Mascagnite, (NH,),SO, (revised) 9 8 Massicot, PbO (yellow) 2 32

Matlockite, PbFCl 1 76

Metacinnabar, HgS 4 21

Miargyrite, AgSbS^ 5m 49

*Millerite, NiS Im 37

Minium, PbjO^ 8 32

Molybdenite, MoS^ 5 47

Molybdite, MoO, 3 30

Montroydite, HgO (revised) 9 39

Mullite, 3Al,03-2SiO, 3m 3 Nantokite, CuCl 4 35

Niter, KNO, 3 58

Nitrobarite, Ba(NO,)3 1 81

Norbergite, MgjSiC-MgFj 10 39

Oldhamite, CaS 7 15 Otavite, CdCO, 7 11 Oxammite, (NHJjC,0„-HjO 7 5

*Paratellurite, TeO^ 10 55

Paratellurite, TeO, 7 56

Partridgeite, Mn,0, 9 37

Periclase, MgO 1 37

*Phenacite, Be,SiO.. 8 11 Picrochromite, MgCr,©^ 9 34

Portlandite, Ca(OH), 1 58

Powellite, CaMoO^ 6 22

Pyrite, FeS, 5 29

Pyrope, Mg,Al,(SiO.)3 4m 24

*Quartz, SiO^ (alpha or low) 3 24

Vol. or

sec. Page

Rammelsbergite, NiASj 10 42

Retgersite, NiSO.-6H,0 7 ,36 Rhodochrosite, MnCO, 7 32

Rutile, TiO, 1 44

Safflorite, CoFeAs, 10 28 Sal-ammoniac, NH^Cl 1 59 Sanmartinite, ZnWO., 2m 40

*Scheelite, CaWO„ 6 23

Selenolite, SeO, 1 53

Sellaite, MgF, 4 ,33 Senarmontite, SbjO, 3 31

Skutterudite, CoAs, 10 21 *Smithsonite, ZnCO, 8 69

Soda-niter, NaNO, 6 50

Sphalerite, ZnS 2 16 Spherocobaltite, C0CO3 10 24

Spinel, MgAl,0« 2 35

Stibnite, Sb,S, 5 6

Stolzite, PbWO. (revised) 5m ,34 Strontianite, SrCO, 3 56

Struvite, MgNH^PO^-eH.0 3m 41

Sylvite, KCl 1 65

* Tellurite, TeO, 9 57

Tellurobismuthite, Bi,Te, 3m 16 Tenorite, CuO 1 49

Teschemacherite, NH^HCOj 9 5 Teschermigite, NH,A1(S04),.12H,0 6 3 Thenardite, Na,SO« 2 59

Thermonatrite, Na,CO,-H,0 8 54

Thorianite, ThO^ 1 57 Tiemannite, HgSe 7 35

Topaz, Al,SiO,(F,OH)3 Im 4 Trevorite, NiFe^O^ 10 44

Tungstenite, WS^ 8 65

Uraninite, UO, 2 33 Uvarovite, Ca,Cr,(SiOJ, 10 17 Valentinite, Sb,0, 10 6 Villiaumite, NaF 1 63

Willemite, Zn^SiO^ 7 62

Witherite, BaCO, 2 54

Wulfenite, PbMoO^ 7 23

Wurtzite, ZnS 2 14 Xenotime, YPO, 8 67

Zincite, ZnO 2 25

Zinkosite, ZnSO, 7 64

* Zircon, ZrSiO^ 4 68

Natural mineral. M— Monagraph 25. « u s government printing office : issa 0—309-337

97

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