American Mineralogist Crystal Structure Database

1 matching records for this search.

Thornasite
Download hom/thornasite.pdf
Li Y, Krivovichev S V, Burns P C
Download am/vol85/AM85_1521.pdf
American Mineralogist 85 (2000) 1521-1525
The crystal structure of thornasite: A novel interrupted silicate framework
_database_code_amcsd 0002591
29.124 29.124 17.2602 90 90 120 R-3c
atom       x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Th    .15425 .82091   1/12   .017   .017   .014   .009  -.001   .001
Si1    .1684  .9008 -.0861   .016   .020   .012   .007   .001   .005
Si2    .0641  .8073 -.0689   .014   .019   .017   .008  -.002  -.001
Si3    .1595  .9499  .0598   .016   .013   .017   .007   .000   .002
Si4    .0991  .7289 -.0929   .017   .012   .013   .006  -.001   .001
Si5    .0645  .9663  .0512   .036   .039   .060   .022   .000  -.003
Si6        0      0  .3415   .039   .039   .079   .020      0      0
Na1    .1486  .8954  .2413   .114   .076   .030   .065   .008   .003
Na2    .0287  .8237  .1184   .060   .141   .053   .059  -.004   .009
O1     .1925  .8713 -.0390   .027   .028   .019   .017   .007   .010
O2     .1629  .9054  .1074   .045   .016   .017   .017  -.004   .000
O3     .1362  .7548 -.0195   .031   .025   .023   .016  -.016  -.008
O4     .0769  .8109  .0204   .019   .038   .015   .016  -.002  -.004
O5     .0082  .8033 -.0885   .018   .054   .017   .019   .001  -.001
O6     .0587    2/3  -1/12   .022   .011   .041   .006   .006   .011
O7     .0628  .7563 -.1099   .029   .021   .022   .017  -.007  -.005
O8     .1086  .8592 -.1150   .017   .019   .024   .003  -.004   .005
O9     .1658  .9465 -.0346   .030   .017   .015   .010  -.001   .001
O10    .1998  .9313 -.1628   .029   .040   .018   .018   .013   .017
O11    .1033  .9466  .0762   .028   .065   .046   .034   .002   .010
O12    .0960  .0159 -.0067   .066   .049   .089   .022   .008   .023
O13        0      0    .25   .000   .000   .089   .000      0      0
O14    .0432  .9822  .1254   .053   .083   .084   .043   .011  -.009
Wat15  .2323      0    .25   .210   .210   .040   .107   .012   .023
Wat16  .0998  .9422  .2668   .210   .170   .130   .090  -.025   .029
Wat17      0  .8910    .25   .370   .370   .380   .187  -.003  -.002
Wat18  .3072  .0421  .3408   .155   .080   .121   .051   .058  -.009
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