American Mineralogist Crystal Structure Database

2 matching records for this search.

Sogdianite
Download hom/sogdianite.pdf
Cooper M A, Hawthorne F C, Grew E S
Download am/vol84/AM84_764.pdf
American Mineralogist 84 (1999) 764-768
The crystal chemistry of sogdianite, a milarite-group mineral
Note: U(1,2) for Li2 changed to match symmetry constraints
Locality: Dara-i-Pioz, Tadjikistan
_database_code_amcsd 0002224
10.053 10.053 14.211 90 90 120 P6/mcc
atom      x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
ZrA     1/3    2/3    .25  .38  .0036  .0036  .0047  .0018      0      0
FeA     1/3    2/3    .25 .365  .0036  .0036  .0047  .0018      0      0
TiA     1/3    2/3    .25  .19  .0036  .0036  .0047  .0018      0      0
AlA     1/3    2/3    .25 .065  .0036  .0036  .0047  .0018      0      0
NaB     1/3    2/3  .0192 .425  .0179  .0179  .0395  .0090      0      0
KC        0      0    .25       .0187  .0187  .0210  .0093      0      0
Si1  .11664 .35485 .11056       .0067  .0075  .0066  .0037  .0000 -.0007
Li2       0     .5    .25       .0133  .0183  .0132 .00915      0      0
O1    .1325  .3971      0       .0302  .0194  .0073  .0120      0      0
O2    .2211  .2778 .13506       .0145  .0187  .0194  .0131 -.0015 -.0013
O3   .16186  .5041 .17134       .0114  .0099  .0126  .0056 -.0016 -.0036
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Sogdianite
Download hom/sogdianite.pdf
Sokolova E V, Hawthorne F C, Pautov L A
Download cm/vol38/CM38_853.pdf
The Canadian Mineralogist 38 (2000) 853-859
The crystal chemistry of Li-bearing minerals with the milarite-type structure:
The crystal structure of end-member sogdianite
Locality: Dara-i-Pioz, Tadjikistan
_database_code_amcsd 0005692
10.1240 10.1240 14.3198 90 90 120 P6/mcc
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Zr      1/3    2/3    1/4 .0061  .0059  .0059  .0067  .0029      0      0
K         0      0    1/4 .0217  .0207  .0207  .0236  .0104      0      0
Si   .11184 .35135 .10941 .0073  .0068  .0080  .0071  .0037 -.0005 -.0010
Li        0    1/2    1/4 .0141  .0074  .0146  .0178  .0037      0      0
O     .1246  .3911      0 .0164  .0232  .0197  .0061  .0105      0      0
O     .2179  .2779 .13483 .0138  .0134  .0164  .0164  .0109 -.0005 -.0003
O     .1565  .4983 .17173 .0101  .0099  .0102  .0097  .0046 -.0012 -.0028
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Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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