American Mineralogist Crystal Structure Database

6 matching records for this search.

Ferrobustamite
Download hom/ferrobustamite.pdf
Yamanaka T, Sadanaga R, Takeuchi Y
Download am/vol62/AM62_1216.pdf
American Mineralogist 62 (1977) 1216-1224
Structural variation in the ferrobustamite solid solution
Wo82Fs18
Note: the sample is from the Ofuku mine, Yamaguchi Prefecture, Japan
_database_code_amcsd 0000607
7.862 7.253 13.967 89.44 95.28 103.29 A-1
atom     x     y     z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca1  .2006 .4175 .3775 .972  .417  .0021  .0025  .0006  .0004  .0001  .0000
Fe1  .2006 .4175 .3775 .028  .417  .0021  .0025  .0006  .0004  .0001  .0000
Ca2  .1988 .9329 .3757 .983  .536  .0023  .0027  .0007  .0004  .0001  .0000
Fe2  .1988 .9329 .3757 .017  .536  .0023  .0027  .0007  .0004  .0001  .0000
Ca3     .5   .25   .25 .035  .505  .0022  .0025  .0007  .0004  .0001      0
Fe3     .5   .25   .25 .965  .505  .0022  .0025  .0007  .0004  .0001      0
Ca4     .5   .75   .25 .986  .536  .0023  .0027  .0007  .0004  .0001      0
Fe4     .5   .75   .25 .014  .536  .0023  .0027  .0007  .0004  .0001      0
Si1  .1888 .3960 .6365       .355  .0015  .0018  .0005  .0003  .0001  .0000
Si2  .1925 .9570 .6315       .631  .0018  .0021  .0005  .0003  .0001  .0000
Si3  .3971 .7263 .5231       .349  .0015  .0018  .0005  .0003  .0001  .0000
O1   .4292 .2346 .4026       .724  .0031  .0036  .0009  .0005  .0002  .0000
O2   .4008 .7237 .4085       .579  .0025  .0029  .0007  .0004  .0001  .0000
O3   .3177 .4808 .7315       .687  .0030  .0035  .0009  .0005  .0002  .0000
O4   .3103 .9280 .7292       .900  .0039  .0045  .0012  .0007  .0002  .0000
O5   .0150 .6213 .3556       .870  .0038  .0044  .0011  .0006  .0002  .0000
O6   .0129 .1339 .3738      1.043  .0045  .0052  .0013  .0008  .0002  .0000
O7   .2637 .5183 .5434       .772  .0033  .0039  .0010  .0006  .0002  .0000
O8   .2787 .8838 .5400       .823  .0036  .0042  .0011  .0006  .0002  .0000
O9   .2238 .1860 .6188      1.107  .0048  .0056  .0014  .0008  .0003  .0001
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Realgar
Download hom/realgar.pdf
Ito T, Morimoto N, Sadanaga R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=5&spage=775
Acta Crystallographica 5 (1952) 775-782
The crystal structure of realgar
Locality: Saimoko, Japan
_database_code_amcsd 0009149
9.27 13.50 6.56 90 106.62 90 P2_1/n
atom    x     y     z Biso
As1  .118  .024 -.241  1.3
As2  .425 -.140 -.142  1.3
As3  .318 -.127  .181  1.3
As4  .038 -.161 -.290  1.3
S1   .346  .008 -.295  1.3
S2   .213  .024  .120  1.3
S3   .245 -.225 -.363  1.3
S4   .115 -.215  .048  1.3
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Clintonite
Download hom/clintonite.pdf
Takeuchi Y, Sadanaga R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=12&spage=945
Acta Crystallographica 12 (1959) 945-946
The crystal structure of xanthophyllite
Locality: Chichibu mine, Japan
_database_code_amcsd 0009236
5.19 9.00 9.74 90 100.1 90 C2/m
atom    x    y    z  occ
Ca     .5   .5    0
Mg     .5 .328   .5
Al1     0   .5   .5
Al2  .556 .172 .205 .75
Si2  .556 .172 .205 .25
O1   .419    0  .14
O2   .841 .185  .14
O3   .602 .161 .383
OH   .632   .5 .398
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Fayalite
Download hom/fayalite.pdf
Fujino K, Sasaki S, Takeuchi Y, Sadanaga R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=37&spage=513
Acta Crystallographica B37 (1981) 513-518
X-ray determination of electron distributions in forsterite, fayalite
and tephroite
_cod_database_code 1000064
_database_code_amcsd 0009731
4.8195 10.4788 6.0873 90 90 90 Pbnm
atom      x      y      z
Fe1       0      0      0
Fe2  .98598 .28026    .25
Si   .43122 .09765    .25
O1   .76814 .09217    .25
O2   .20895 .45365    .25
O3   .28897 .16563 .03643
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Pyrosmalite-(Mn)
Download hom/pyrosmalitemn.pdf
Takeuchi Y, Kawada I, Irimaziri S, Sadanaga R
 
Mineralogical Journal 5 (1969) 450-467
The crystal structure and polytypism of manganpyrosmalite
Locality: Kyurazawa mine, Tochigi Prefecture, Japan
_database_code_amcsd 0018490
13.42 13.42 7.159 90 90 120 P-3m1
atom     x     y     z Biso
Mn1      0     0     0 3.47
Mn2  .2561     0     0 1.99
Mn3     .5     0     0 2.49
Mn4  .5116 .2558 .0376 2.09
Si   .4402 .1084 .6213  .92
O1   .3294     0    .5 1.88
O2   .5670 .1340 .5535  .19
O3   .4295 .2147 .5776 1.12
O4   .3939 .0750 .8462 1.25
OH1  .1806 .0903 .7733  .71
OH2  .3474 .1737 .1069 1.96
OH3  .5670 .1340 .1894 3.56
OH4    2/3   1/3 .7713 4.42
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Wollastonite-1A
 
Ito T, Sadanaga R, Takeuchi Y, Tokonami M
 
Proceedings of the Japan Academy 45 (1969) 913-918
The existence of partial mirrors in wollastonite
_database_code_amcsd 0015327
7.94 7.32 7.07 90.03 95.37 103.43 P-1
atom     x     y     z
Ca1  -.002 .2495 -.026
Ca2   .700 -.075  .264
Ca3   .698 .4245  .261
Si1   .314  .043  .229
Si2   .314  .614  .229
Si3   .102 .2755  .442
O1    .100  .275  .666
O2    .076  .769  .693
O3    .194  .062  .037
O4    .194  .535  .037
O5    .516  .129  .226
O6    .520  .630  .233
O7    .224  .120  .405
O8    .224  .492  .405
O9    .290 .8225  .260
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Total number of retrieved datasets: 6
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