American Mineralogist Crystal Structure Database

29 matching records for this search.

Marcasite
Download hom/marcasite.pdf
Buerger M J
Download am/vol16/AM16_361.pdf
American Mineralogist 16 (1931) 361-395
The crystal structure of marcasite
Locality: Joplin, Missouri, USA
_database_code_amcsd 0000008
3.37 4.44 5.39 90 90 90 Pmnn
atom  x    y    z
Fe    0    0    0
S     0 .203 .375
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Berthierite
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Buerger M J
 
American Mineralogist 21 (1936) 205-206
The crystal structure of berthierite
_database_code_amcsd 0000014
11.44 14.12 3.76 90 90 90 Pnam
atom     x    y   z
Fe   .0625  .25 .25
Sb1  .1875 .875 .25
Sb2  .1875 .625 .25
S1   .0625    0 .25
S2   .1875 .125 .25
S3   .1875 .375 .25
S4   .0625  .75 .25
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Valentinite
Download hom/valentinite.pdf
Buerger M J
 
American Mineralogist 21 (1936) 206-207
The crystal structure of valentinite
_database_code_amcsd 0000015
4.92 12.46 5.42 90 90 90 Pccn
atom     x    y     z
Sb   .1215 .207  .175
O1     .25  .25 -.075
O2   -.110 .156  .175
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Gudmundite
Download hom/gudmundite.pdf
Buerger M J
 
American Mineralogist 24 (1939) 183-184
The crystal structure of gudmundite
_database_code_amcsd 0000020
6.02 5.93 6.02 90 67.87 90 P2_1/c
atom     x    y    z
Fe   -.300 .015 .300
Sb    .149 .131 .132
S    -.356 .145 .667
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Gudmundite
Download hom/gudmundite.pdf
Buerger M J
 
American Mineralogist 24 (1939) 183-184
The crystal structure of gudmundite
_database_code_amcsd 0000021
10.00 5.93 6.73 90 90. 90 B2_1/d
atom    x    y     z
Fe      0 .015  .300
Sb   .140 .131 -.008
S    .156 .145  .511
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Nepheline
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Buerger M J, Klein G E, Hamburger G E
 
American Mineralogist 32 (1947) 197-197
The structure of nepheline
_database_code_amcsd 0000040
10.05 10.05 8.38 90 90 120 P6_3
atom     x     y   z
K        0     0   0
Na   .0100 .4300   0
Si1    1/3   2/3 .82
Al1    1/3   2/3 .18
Si2  .0900 .3300 1/3
Al2  .0900 .3300 2/3
O1     1/3   2/3   0
O2   .0900 .3300  .5
O3   .1700 .5200 .75
O4   .1700 .5200 .25
O5     .25 .2800 .25
O6     .25 .2800 .75
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Cubanite
Download hom/cubanite.pdf
Buerger M J
Download am/vol32/AM32_415.pdf
American Mineralogist 32 (1947) 415-425
The crystal structure of cubanite
_database_code_amcsd 0000042
6.463 11.117 6.234 90 90 90 Pcmn
atom     x    y    z
Fe   .0833 .083 .135
Cu   .5833  .25 .122
S1   .9167  .25 .270
S2   .4167 .083 .265
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Dravite
Download hom/dravite.pdf
Hamburger G E, Buerger M J
Download am/vol33/AM33_532.pdf
American Mineralogist 33 (1948) 532-540
The structure of tourmaline
Locality: de Kalb, New York, USA
_database_code_amcsd 0000045
15.951 15.951 7.24 90 90 120 R3m
atom    x     y    z
NaX     0     0 .770
MgY  .133 .0665 .255
AlZ  .050 .3670 .825
SiT  .192 .1920 .624
B    .117 .2340    0
OH1     0     0 .403
O2   .058 .1160    0
OH3  .233 .1165 .032
O4   .142 .0710 .624
O5   .102 .2040 .742
O6   .200 .2000 .403
O7   .279 .2460 .758
O8   .058 .2920    0
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Berthierite
Download hom/berthierite.pdf
Buerger M J, Hahn T
 
American Mineralogist 39 (1954) 319-319
The crystal structure of berthierite, FeSb2S4
_database_code_amcsd 0000064
11.44 14.12 3.76 90 90 90 Pnam
atom    x    y   z
Fe   .314 .335 .25
Sb1  .145 .064 .25
Sb2  .036 .385 .75
S1   .197 .272 .75
S2   .428 .186 .25
S3   .229 .494 .25
S4   .452 .405 .75
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Nepheline
Download hom/nepheline.pdf
Buerger M J, Klein G E, Donnay G
Download am/vol39/AM39_805.pdf
American Mineralogist 39 (1954) 805-818
Determination of the crystal structure of nepheline
_database_code_amcsd 0000067
10.01 10.01 8.405 90 90 120 P6_3
atom     x     y   z
K        0     0   0
Na   .0080 .4320   0
Si1    1/3   2/3 .82
Al1    1/3   2/3 .18
Si2  .0920 .3300 1/3
Al2  .0920 .3300 2/3
O1     1/3   2/3   0
O2   .0200 .3300  .5
O3   .1800    .5 .75
O4   .1700 .5300 .25
O5   .2300 .2800 .25
O6   .2300 .2800 .75
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Cubanite
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Azaroff L V, Buerger M J
Download am/vol40/AM40_213.pdf
American Mineralogist 40 (1955) 213-225
Refinement of the structure of cubanite, CuFe2S3
_database_code_amcsd 0000068
6.46 11.12 6.23 90 90 90 Pcmn
atom     x     y     z
Fe   .0875 .0880 .1340
Cu   .5830   .25 .1270
S1   .9130   .25 .2625
S2   .4130 .0835 .2740
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Berthierite
Download hom/berthierite.pdf
Buerger M J, Hahn T
Download am/vol40/AM40_226.pdf
American Mineralogist 40 (1955) 226-238
The crystal structure of berthierite, FeSb2S4
_database_code_amcsd 0000069
11.44 14.12 3.76 90 90 90 Pnam
atom    x    y   z
Sb1  .145 .062 .25
Sb2  .037 .386 .75
Fe   .316 .334 .25
S1   .195 .272 .75
S2   .424 .184 .25
S3   .226 .492 .25
S4   .451 .405 .75
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Pentlandite
Download hom/pentlandite.pdf
Pearson A D, Buerger M J
Download am/vol41/AM41_804.pdf
American Mineralogist 41 (1956) 804-805
Confirmation of the crystal structure of pentlandite.
_database_code_amcsd 0000079
10.030 10.030 10.030 90 90 90 Fm3m
atom    x    y    z occ
Ni1    .5   .5   .5  .5
Fe1    .5   .5   .5  .5
Ni2  .125 .125 .125  .5
Fe2  .125 .125 .125  .5
S1    .25  .25  .25
S2    .25    0    0
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Cahnite
Download hom/cahnite.pdf
Prewitt C T, Buerger M J
Download am/vol46/AM46_1077.pdf
American Mineralogist 46 (1961) 1077-1085
The crystal structure of cahnite, Ca2BAsO4(OH)4
Locality: Franklin, New Jersey, USA
_database_code_amcsd 0000097
7.11 7.11 6.20 90 90 90 I-4
atom    x    y    z
As      0    0    0
B       0   .5  .25
Ca1     0    0   .5
Ca2     0   .5  .75
O1   .178 .054 .167
OH2  .160 .444 .114
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Narsarsukite
Download hom/narsarsukite.pdf
Peacor D R, Buerger M J
Download am/vol47/AM47_539.pdf
American Mineralogist 47 (1962) 539-556
The determination and refinement of the structure of narsarsukite, Na2TiOSi4O10
_database_code_amcsd 0000113
10.7269 10.7269 7.9476 90 90 90 I4/m
atom     x     y     z Biso
Ti       0     0 .2396 .130
Na   .1858 .1378    .5 1.38
Si   .0118 .3085 .1924 -.09
O1       0     0     0  .05
O2       0     0    .5  .20
O3   -.040 .3024     0  .17
O4   .0488 .1754 .2684  .37
O5   .1324 .4023 .1938  .32
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Arsenopyrite
Download hom/arsenopyrite.pdf
Buerger M
Download zk/vol95/ZK95_83.pdf
Zeitschrift fur Kristallographie 95 (1936) 83-113
The symmetry and crystal structure of the minerals of the arsenopyrite group
Locality: St Peter mine, Spindelmuhle, Bohemia
_database_code_amcsd 0016964
9.51 5.65 6.42 90 90 90.0 B2_1/d
atom    x    y    z
Fe      0    0 .275
As   .147 .128    0
S    .167 .132   .5
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Manganite
Download hom/manganite.pdf
Buerger M J
Download zk/vol95/ZK95_163.pdf
Zeitschrift fur Kristallographie 95 (1936) 163-174
The symmetry and crystal structure of manganite, Mn(OH)O
Locality: Ilfeld, Germany
_database_code_amcsd 0010565
8.86 5.24 5.7 90 90.0 90 B2_1/d
atom    x    y    z
Mn      0    0 .258
O1   .119 .122    0
O2   .119 .122   .5
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Marcasite
Download hom/marcasite.pdf
Buerger M
 
Zeitschrift fur Kristallographie 97 (1937) 504-513
Interatomic Distances in Marcasite and Notes on the Bonding in Crystals
of Loellingite, Arsenopyrite, and Marcasite Types.
_cod_database_code 1011013
_database_code_amcsd 0017921
4.436 5.414 3.381 90 90 90 Pnnm
atom  x    y z
Fe1   0    0 0
S1   .2 .378 0
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Valentinite
Download hom/valentinite.pdf
Buerger M J, Hendricks S B
Download zk/vol98/ZK98_1.pdf
Zeitschrift fur Kristallographie 98 (1938) 1-30
The crystal structure of valentinite
_database_code_amcsd 0010568
4.92 12.46 5.42 90 90 90 Pccn
atom     x     y     z
Sb   .0444 .1283  .179
O1     .25   .25 -.075
O2    .147  .058 -.139
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Gudmundite
Download hom/gudmundite.pdf
Buerger M
 
Zeitschrift fur Kristallographie 101 (1939) 290-316
The crystal structure of gudmundite (FeSbS) and its bearing on the
existence field of the arsenopyrite structural type
_cod_database_code 1011042
_database_code_amcsd 0017944
6.02 5.93 6.02 90 67.87 90 P2_1/c
atom     x    y    z
Fe1    -.3 .015   .3
Sb1   .148  .13 .132
S1   -.355 .144 .667
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Livingstonite
Download hom/livingstonite.pdf
Niizeki N, Buerger M J
Download zk/vol109/ZK109_129.pdf
Zeitschrift fur Kristallographie 109 (1957) 129-157
The crystal structure of livingstonite, HgSb4S8
Locality: Guerrido, Mexico
_database_code_amcsd 0010580
30.25 4 21.48 90 104.20 90 A2/a
atom    x    y    z Biso
Hg1     0   .5    0 1.58
Hg2   .25    0    0 1.58
Sb1   .12 .063 .075 1.09
Sb2  .042 .095 .214 1.14
Sb3  .131 .064 .425  .94
Sb4  .208 .078 .287  .21
S1   .062 .493 .092 1.06
S2   .229 .028  .18   .5
S3   .172 .506 .039 1.21
S4   .149 .521 .222  .47
S5   .189 .494 .407  .96
S6   .022 .021 .318  .76
S7   .078 .507  .46  .89
S8   .102 .483 .277  .69
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Jamesonite
Download hom/jamesonite.pdf
Niizeki N, Buerger M J
Download zk/vol109/ZK109_161.pdf
Zeitschrift fur Kristallographie 109 (1957) 161-183
The crystal structure of jamesonite, FePb4Sb6S14
_database_code_amcsd 0010581
15.57 18.98 4.03 90 91.8 90 P2_1/a
atom    x    y    z Biso
Fe      0    0    0 1.08
Pb1  .182 .141 .036 1.21
Pb2  .425 .240 .062 1.08
Sb1  .319 .437 .408  .75
Sb2  .396 .049 .623  .74
Sb3  .130 .340 .620 1.05
S1   .419 .395 .968  .21
S2   .095 .042 .524  .59
S3   .316 .158 .555  .73
S4   .226 .297 .076  .73
S5   .050 .230 .573  .17
S6   .002 .398 .052  .71
S7   .285 .004 .027  .41
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Bustamite
Download hom/bustamite.pdf
Peacor D R, Buerger M J
Download zk/vol117/ZK117_331.pdf
Zeitschrift fur Kristallographie 117 (1962) 331-343
Determination and refinement of the crystal structure of bustamite, CaMnSi2O6
Locality: Franklin, New Jersey, USA
_database_code_amcsd 0010598
15.412 7.157 13.824 89.48 94.85 102.93 F-1
atom     x     y     z occ Biso
Ca1  .0994 .1583 .3785      .69
Mn1  .1009 .6725 .3733      .56
Mn2    .25     0   .25      .56
Ca3    .25    .5   .25      .73
Si1  .0884 .2003 .1343      .34
Si2  .0888 .6454 .1325      .32
Si3  .1975 .9805 .0218      .16
O1   .2158 .9758 .4027      .68
O2   .2018 .4840 .4069      .57
O3   .1563 .1838 .2293      .48
O4   .1509 .7206 .2315      .50
O5   .0131 .3964 .3549      .64
O6   .0140 .8513 .3717      .66
O7   .1287 .1240 .0393      .57
O8   .1364 .7625 .0411      .29
O9   .0926 .4250 .1147     1.34
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Jeppeite
Download hom/jeppeite.pdf
Cid-Dresdner H, Buerger M J
Download zk/vol117/ZK117_411.pdf
Zeitschrift fur Kristallographie 117 (1962) 411-430
The crystal structure of potassium hexatitanate K2Ti6O13
Locality: synthetic
_database_code_amcsd 0010602
15.582 3.82 9.112 90 99.764 90 C2/m
atom     x y      z Biso
K    .4540 0  .2474 1.11
Ti1  .1142 0  .0980  .47
Ti2  .1716 0  .4386   .6
Ti3  .2325 0 -.2238   .5
O1       0 0      0   .6
O2   .2370 0   .237   .6
O3   .0764 0   .291   .6
O4   .2964 0  -.428   .2
O5   .1330 0  -.384   .4
O6   .3591 0  -.109   .4
O7   .1677 0  -.083   .6
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Pharmacosiderite
Download hom/pharmacosiderite.pdf
Buerger M J, Dollase W A, Garaycochea-Wittke I
Download zk/vol125/ZK125_92.pdf
Zeitschrift fur Kristallographie 125 (1967) 92-108
The structure and composition of the mineral pharmacosiderite
Note: the K atom could not be located
Locality: Cornwall, England
_database_code_amcsd 0010644
7.9816 7.9816 7.9816 90 90 90 P-43m
atom     x     y     z occ Biso
Fe   .1426 .1426 .1426      1.1
As      .5     0     0      1.5
O1   .1223 .1223 .3787      1.8
O2   .8847 .8847 .8847      1.2
Wat3  .068    .5    .5  .5  3.3
Wat4  .694  .694  .694  .5  2.5
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Londonite
Download hom/londonite.pdf
Taxer K J, Buerger M J
Download zk/vol125/ZK125_423.pdf
Zeitschrift fur Kristallographie 125 (1967) 423-436
The crystal struture of rhodizite
Note: name of mineral altered according to IMA decision in 1999
to name the Cs dominant phase: londonite
Locality: Manjaka, Madagascar
_database_code_amcsd 0010650
7.319 7.319 7.319 90 90 90 P-43m
atom    x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Cs      0     0     0 1.02  .0048  .0048  .0048      0      0      0
B   .2469    .5     0   .8
Be   .749  .749  .749  1.4  .0068  .0068  .0068  .0003  .0003  .0003
Al  .3603 .3603 .3603  .55  .0026  .0026  .0026  .0002  .0002  .0002
O1  .6203 .6203 .6203  .51  .0015  .0015  .0015  .0017  .0017  .0017
O2  .3643 .3643 .1001  .32  .0013  .0013  .0020  .0011 -.0003  .0011
O3  .1342 .1342 .5996  .75  .0029  .0029  .0048  .0024  .0001  .0024
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Gurimite
 
Susse P, Buerger M J
Download zk/vol131/ZK131_161.pdf
Zeitschrift fur Kristallographie 131 (1970) 161-174
The structure of Ba3(VO4)2
_database_code_amcsd 0010708
7.837 7.837 7.837 43.14 43.14 43.14 R-3m
atom      x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Bal       0      0      0 1.65 .01662 .01662 .01662 -.00762 -.00762 -.00762
Ba2  .20525 .20525 .20525 0.96 .01006 .01006 .01006 -.00434 -.00434 -.00434
V    .40758 .40758 .40758 1.42 .01419 .01419 .01419 -.00667 -.00667 -.00667
O1    .3278  .3278  .3278  2.5 .02541 .02541 .02541 -.01164 -.01164 -.01164
O2    .2735  .2735  .7566  1.0 .01059 .01059 .00953 -.00529 -.00423 -.00423
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Nepheline
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Buerger M, Klein G, Hamburger G
 
Geological Society of America, Bulletin 57 (1946) 1182-1183
Structure of Nepheline
_cod_database_code 1008761
_database_code_amcsd 0016638
10.05 10.05 8.38 90 90 120 P6_3
atom   x   y   z
Na1    0   0   0
Si1  1/3 2/3 .82
Al1  1/3 2/3 .18
O1   1/3 2/3   0
Na2  .01 .43   0
Si2  .09 1/3 1/3
Al2  .09 1/3 2/3
O2   .02 1/3  .5
O3   .17 .52 .75
O4   .17 .52 .25
O5   .25 .28 .25
O6   .25 .28 .75
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Rhodizite
Download hom/rhodizite.pdf
Buerger M J, Taxer K
 
Science 152 (1966) 500-502
Rhodizite. Structure and composition
Locality: Manjaka, Madagascar
_database_code_amcsd 0015418
7.319 7.319 7.319 90 90 90 P-43m
atom     x     y     z Biso
Cs       0     0     0 1.02
Al   .3575 .3575 .3575  .55
Be    .755  .755  .755  1.4
B     .245    .5     0   .8
O1   .6195 .6195 .6195  .51
O2   .3635 .3635 .1017  .32
O3   .1339 .1339 .6019  .75
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