American Mineralogist Crystal Structure Database

34 matching records for this search.

Swedenborgite
Download hom/swedenborgite.pdf
Pauling L, Klug H P, Winchell A N
Download am/vol20/AM20_492.pdf
American Mineralogist 20 (1935) 492-501
The crystal structure of swedenborgite, NaBe4SbO7
Locality: not given
_database_code_amcsd 0000013
5.47 5.47 8.92 90 90 120 P6_3mc
atom   x    y     z
Sb   1/3  2/3     0
Na   1/3  2/3 .6250
Be1    0    0 .0625
Be2  1/6 -1/6 .3125
O1     0    0 .3750
O2    .5  -.5 .3750
O3   1/6 -1/6 .1250
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Graphite
Download hom/graphite.pdf
Kukesh J S, Pauling L
 
American Mineralogist 35 (1950) 125-125
The problem of the graphite structure
_database_code_amcsd 0000049
2.456 4.254 6.696 90 90 90 Fmmm
atom x   y z
C    0 1/6 0
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Tetradymite
Download hom/tetradymite.pdf
Pauling L
Download am/vol60/AM60_994.pdf
American Mineralogist 60 (1975) 994-997
The formula, structure, and chemical bonding of tetradymite, Bi14Te13S8, and the
Phase Bi14Te15S6
cell parameters were computed from those provided in the rhombohedral setting
_database_code_amcsd 0000474
10.70 10.70 28.17 90 90 120 R-3
atom    x    y      z
Te1     0    0      0
Te2  .220 .044  .1115
Te3  .407 .504  .1169
S1    1/3  2/3 -.1007
S2   .441 .301  .0020
Bi1   1/3  2/3  .0520
Bi2  .215 .268  .0557
Bi3  .464 .097  .0527
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Selenium
Download hom/selenium.pdf
Marsh R E, Pauling L, McCullough J D
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=6&spage=71
Acta Crystallographica 6 (1953) 71-75
The crystal structure of beta-selenium
Locality: synthetic
Note: structure known as beta phase
Note: cell parameters taken from Acta Crystallographica 5 (1952) 236-246
_database_code_amcsd 0009152
12.85 8.07 9.31 90 93.13 90 P2_1/a
atom    x    y    z Biso
Se1  .584 .315 .437  2.0
Se2  .477 .227 .246  2.0
Se3  .328 .398 .240  2.0
Se4  .352 .580 .050  2.0
Se5  .410 .831 .157  2.0
Se6  .590 .840 .142  2.0
Se7  .660 .754 .368  2.0
Se8  .710 .479 .334  2.0
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Cl6 K2 Pt
 
Ewing F, Pauling L
 
Zeitschrift fur Kristallographie 68 (1928) 223-230
The Crystal Structure of Potassium Chloroplatinate.
_cod_database_code 1010509
_database_code_amcsd 0017420
9.73 9.73 9.73 90 90 90 Fm3m
atom    x   y   z
K1    .25 .25 .25
Pt1     0   0   0
Cl1  .240   0   0
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Cl6 H12 Ni O6 Sn
 
Pauling L
 
Zeitschrift fur Kristallographie 72 (1930) 482-492
On the crystal structure of nickel chlorostannate hexahydrate
_cod_database_code 1010213
_database_code_amcsd 0017149
7.09 7.09 7.09 96.75 96.75 96.75 R-3
atom   x   y    z
Sn1    0   0    0
Ni1   .5  .5   .5
Cl1  .14 .31 -.06
O1   .64 .81  .44
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Pseudobrookite
Download hom/pseudobrookite.pdf
Pauling L
 
Zeitschrift fur Kristallographie 73 (1930) 97-113
The crystal structure of pseudobrookite
_cod_database_code 1011342
_database_code_amcsd 0018179
3.725 9.79 9.93 90 90 90 Cmcm
atom x    y    z
Ti1  0  .19  .25
Fe1  0 .135  .56
O1   0  .73  .25
O2   0 .045  .11
O3   0  .31 .095
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Sodalite
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Pauling L
 
Zeitschrift fur Kristallographie 74 (1930) 213-225
The structure of sodalite and helvite
_cod_database_code 1011185
_database_code_amcsd 0018060
8.87 8.87 8.87 90 90 90 P-43n
atom    x    y    z
Cl1     0    0    0
Na1  .175 .175 .175
Si1   .25    0   .5
Al1   .25   .5    0
O1   .135  .44  .15
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Cd Cl2
 
Pauling L, Hoard J
 
Zeitschrift fur Kristallographie 74 (1930) 546-551
The crystal structure of cadmium chloride
_cod_database_code 1011332
_database_code_amcsd 0018174
6.23 6.23 6.23 36.03 36.03 36.03 R-3m
atom   x   y   z
Cd1    0   0   0
Cl1  .25 .25 .25
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Bixbyite
Download hom/bixbyite.pdf
Pauling L, Shappell M
 
Zeitschrift fur Kristallographie 75 (1930) 128-142
The Crystal Structure of Bixbyite and the C-Modification of the
Sesquioxides
_cod_database_code 1011266
_database_code_amcsd 0018126
9.365 9.365 9.365 90 90 90 Ia3
atom     x    y    z occ
Fe1    .25  .25  .25  .5
Mn1    .25  .25  .25  .5
Fe2  -.030    0  .25  .5
Mn2  -.030    0  .25  .5
O1    .385 .145 .380
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Chalcopyrite
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Pauling L, Brockway L
 
Zeitschrift fur Kristallographie 82 (1932) 188-194
The Crystal Structure of Chalkopyrite Cu Fe S2
_cod_database_code 1010940
_database_code_amcsd 0017661
5.24 5.24 10.3 90 90 90 I-42d
atom   x   y    z
Cu1    0   0    0
Fe1    0   0   .5
S1   .27 .25 .125
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Sulvanite
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Pauling L, Hultgren R
 
Zeitschrift fur Kristallographie 84 (1932) 204-212
The crystal structure of sulvanite Cu3 V S4
_cod_database_code 1011219
_database_code_amcsd 0018085
5.370 5.370 5.370 90 90 90 P-43m
atom    x    y    z
V1      0    0    0
Cu1    .5    0    0
S1   .235 .235 .235
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Zunyite
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Pauling L
 
Zeitschrift fur Kristallographie 84 (1933) 442-452
The crystal structure of zunyite, Al13 Si5 O20 ((O H), F)18 Cl
_cod_database_code 1011254
_database_code_amcsd 0018116
13.820 13.820 13.820 90 90 90 F-43m
atom     x     y     z occ
Cl1     .5    .5    .5
Si1    .25   .25   .25
Si2   .117  .117  .117
Al1    .75   .75   .75
Al2   .089  .089 -.228
O1   -.177 -.177 -.177
O2    .184  .184  .184
O3    .273     0     0  .5
O4    .181  .181  .545  .5
O5    .139  .139  .006
F1    .273     0     0  .5
F2    .181  .181  .545  .5
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F2 H5 N
 
Pauling L
 
Zeitschrift fur Kristallographie 85 (1933) 380-391
The crystal structure of ammonium hydrogen fluoride N H4 H F2
_cod_database_code 1010616
_database_code_amcsd 0017498
8.33 8.14 3.68 90 90 90 Pman
atom    x    y    z
N1    .25  .25  .56
F1   .142    0    0
F2     .5 .132 .135
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B6 Ca
 
Pauling L, Weinbaum S
 
Zeitschrift fur Kristallographie 87 (1934) 181-182
The structure of calcium boride, Ca B6
_cod_database_code 1011310
_database_code_amcsd 0018152
4.145 4.145 4.145 90 90 90 Pm3m
atom  x  y    z
Ca1  .5 .5   .5
B1    0  0 .293
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Enargite
Download hom/enargite.pdf
Pauling L, Weinbaum S
Download zk/vol88/ZK88_48.pdf
Zeitschrift fur Kristallographie 88 (1934) 48-53
The crystal structure of enargite, Cu3AsS4
Locality: Philippine Islands
_database_code_amcsd 0010518
6.46 7.43 6.18 90 90 90 Pnm2_1
atom    x    y    z
Cu1  .165    0   .5
Cu2  .333 .245  .99
As    .82    0    0
S1    .83    0  .36
S2    .14    0 .875
S3    .33 .255 .367
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Tennantite
Download hom/tennantite.pdf
Pauling L, Neumann E W
Download zk/vol88/ZK88_54.pdf
Zeitschrift fur Kristallographie 88 (1934) 54-62
The crystal structure of binnite, (Cu,Fe)12As4S13, and the chemical composition
and structure of minerals of the tetrahedrite group
Locality: Legenbach quarry, Binnatal, Switzerland
_database_code_amcsd 0010519
10.19 10.19 10.19 90 90 90 I-43m
atom    x    y    z
Cu1   .25   .5    0
Cu2  .225    0    0
As   .255 .255 .255
S1   .122 .122 .363
S2      0    0    0
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Al O9 P3
 
Pauling L, Sherman J
 
Zeitschrift fur Kristallographie 96 (1937) 481-487
The Crystal Structure of Aluminum Metaphosphate, Al (P O3)3
_cod_database_code 1010266
_database_code_amcsd 0017193
13.63 13.63 13.63 90 90 90 I-43d
atom    x    y    z
Al1  .117 .117 .117
P1    .34 .063 .124
O1    .09  .11   .8
O2   .095 .141 .245
O3   .137 .096 .986
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Fluorine
 
Pauling L, Keaveny I, Robinson A B
 
Journal of Solid State Chemistry 2 (1970) 225-227
The crystal structure of alpha-fluorine
Locality: synthetic
Sample: stable below 45.6 K
Note: alpha phase
_database_code_amcsd 0013291
5.50 3.28 7.28 90 102.17 90 C2/c
atom    x    y     z
F    .285 .317 .0997
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Molybdenite
Download hom/molybdenite.pdf
Dickinson R, Pauling L
 
Journal of the American Chemical Society 45 (1923) 1466-1471
The Crystal Structure of Molybdenite
_cod_database_code 1010993
_database_code_amcsd 0017908
3.15 3.15 12.30 90 90 120 P6_3/mmc
atom   x   y    z
Mo1  1/3 2/3  .25
S1   1/3 2/3 .621
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F6 Fe H12 N3
 
Pauling L
 
Journal of the American Chemical Society 46 (1924) 2738-2751
The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and
Oxyfluomolybdate
_cod_database_code 1010085
_database_code_amcsd 0017019
9.1 9.1 9.1 90 90 90 F-43m
atom   x   y   z
N1    .5  .5  .5
N2   .25 .25 .25
N3   .75 .75 .75
Fe1    0   0   0
F1   .25 .25 .21
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Al F6 H12 N3
 
Pauling L
 
Journal of the American Chemical Society 46 (1924) 2738-2751
The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and
Oxyfluomolybdate
_cod_database_code 1010086
_database_code_amcsd 0017020
8.4 8.4 8.4 90 90 90 F-43m
atom   x   y    z
N1    .5  .5   .5
N2   .25 .25  .25
N3   .75 .75  .75
Al1    0   0    0
F1   .25 .25 .197
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F3 H12 Mo N3 O3
 
Pauling L
 
Journal of the American Chemical Society 46 (1924) 2738-2751
The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and
Oxyfluomolybdate
_cod_database_code 1010087
_database_code_amcsd 0017021
9.1 9.1 9.1 90 90 90 F-43m
atom   x   y   z occ
N1    .5  .5  .5
N2   .25 .25 .25
N3   .75 .75 .75
Mo1    0   0   0
O1   .25 .25 .21  .5
F1   .25 .25 .21  .5
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Hematite
Download hom/hematite.pdf
Pauling L, Hendricks S B
 
Journal of the American Chemical Society 47 (1925) 781-790
Crystal structures of hematite and corundum
_database_code_amcsd 0014076
5.420 5.420 5.420 55.28 55.28 55.28 R-3c
atom    x     y    z
Fe   .355  .355 .355
O    .542 -.042  .25
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Corundum
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Pauling L, Hendricks S B
 
Journal of the American Chemical Society 47 (1925) 781-790
Crystal structures of hematite and corundum
Locality: Ceylon
_database_code_amcsd 0014077
5.120 5.120 5.120 55.28 55.28 55.28 R-3c
atom    x     y    z
Al   .355  .355 .355
O    .553 -.053  .25
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Hematite
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Pauling L, Hendricks S
 
Journal of the American Chemical Society 47 (1925) 781-790
The Structure of Hematite
_cod_database_code 1011240
_database_code_amcsd 0018106
5.43 5.43 5.43 55.28 55.28 55.28 R3c
atom    x     y    z occ
Fe1  .105  .105 .105
O1   .292 -.292    0  .5
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N3 Na
 
Hendricks S, Pauling L
 
Journal of the American Chemical Society 47 (1925) 2904-2920
The Crystal Structures of Sodium and Potassium Trinitrides and
Potassium Cyanate and the Nature of the Trinitride Group
_cod_database_code 1010088
_database_code_amcsd 0017022
5.481 5.481 5.481 38.72 38.72 38.72 R-3m
atom    x    y    z
Na1     0    0    0
N1     .5   .5   .5
N2   .423 .423 .423
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K N3
 
Hendricks S, Pauling L
 
Journal of the American Chemical Society 47 (1925) 2904-2920
The Crystal Structures of Sodium and Potassium Trinitrides and
Potassium Cyanate and the Nature of the Trinitride Group
_cod_database_code 1010089
_database_code_amcsd 0017023
6.094 6.094 7.056 90 90 90 I4/mcm
atom    x    y   z
K1      0    0 .25
N1      0   .5   0
N2   .135 .635   0
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K N O
 
Hendricks S, Pauling L
 
Journal of the American Chemical Society 47 (1925) 2904-2920
The Crystal Structures of Sodium and Potassium Trinitrides and
Potassium Cyanate and the Nature of the Trinitride Group
_cod_database_code 1010090
_database_code_amcsd 0017024
6.07 6.07 7.03 90 90 90 I4/mcm
atom    x    y   z occ
K1      0    0 .25
C1      0   .5   0
N1   .135 .635   0  .5
O1   .135 .635   0  .5
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Au2 Cl6 Cs2
 
Elliott N, Pauling L
 
Journal of the American Chemical Society 60 (1938) 1846-1851
The Crystal Structure of Cesium Aurous Auric Chloride, Vs2 Au Au
Cl6, and Cesium Argentous Auric Chloride, Cs2 Ag Au Cl6
_cod_database_code 1010201
_database_code_amcsd 0017137
7.49 7.49 10.87 90 90 90 I4/mmm
atom    x    y    z
Au1     0    0    0
Au2     0    0   .5
Cs1     0   .5  .25
Cl1     0    0 .288
Cl2  .228 .228    0
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Ag Au Cl6 Cs2
 
Elliott N, Pauling L
 
Journal of the American Chemical Society 60 (1938) 1846-1851
The Crystal Structure of Cesium Aurous Auric Chloride, Cs2 Au Au
Cl6, and Cesium Argentous Auric Chloride, Cs2 Ag Au Cl6
_cod_database_code 1010202
_database_code_amcsd 0017138
7.38 7.38 11.01 90 90 90 I4/mmm
atom   x   y    z
Au1    0   0    0
Ag1    0   0   .5
Cs1    0  .5  .25
Cl1    0   0 .285
Cl2  .22 .22    0
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F7 H12 N3 Zr
 
Hampson G, Pauling L
 
Journal of the American Chemical Society 60 (1938) 2702-2707
The Structure of Ammonium Heptafluozirconate and Potassium
Heptafluozirconate and the Configuration of the Heptafluozirconate Group
_cod_database_code 1010099
_database_code_amcsd 0017032
9.365 9.365 9.365 90 90 90 Fm3m
atom   x   y   z   occ
N1   .28 .28 .28   .25
N2    .5  .5  .5
Zr1  .99 .99 .99  .125
F1   .12 .12 .12  .125
F2    .2 .96 .91 .0625
F3   .77 .94 .99 .0625
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F7 K3 Zr
 
Hampson G, Pauling L
 
Journal of the American Chemical Society 60 (1938) 2702-2707
The Structure of Ammonium Heptafluozirconate and Potassium
Heptafluozirconate and the Configuration of the Heptafluozirconate Group
_cod_database_code 1010100
_database_code_amcsd 0017033
8.951 8.951 8.951 90 90 90 Fm3m
atom   x   y   z   occ
K1   .29 .29 .29   .25
K2   .52 .52 .52  .125
Zr1  .99 .99 .99  .125
F1   .12 .12 .12  .125
F2    .2 .96 .91 .0625
F3   .77 .94 .99 .0625
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Cd Cl3 H4 N
 
Brasseur H, Pauling L
 
Journal of the American Chemical Society 60 (1938) 2886-2890
The Crystal Structure of Ammonium Cadmium Chloride, N H4 Cd Cl3
_cod_database_code 1010376
_database_code_amcsd 0017302
8.96 14.87 3.97 90 90 90 Pnam
atom    x    y   z
Cd1  .165 .054 .25
Cl1  .284 .215 .25
Cl2  .167 .496 .25
Cl3  .026 .898 .25
N1    .43  .82 .25
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