American Mineralogist Crystal Structure Database

1 matching records for this search.

Bosoite
 
Gerke H, Gies H
Download zk/vol166/ZK166_11.pdf
Zeitschrift fur Kristallographie 166 (1984) 11-22
Studies on clathrasils. IV. Crystal structure of dodecasil 1H,
a synthetic clathrate compound of silica
Locality: synthetic
_database_code_amcsd 0020684
13.783 13.783 11.190 90 90 120 P6/mmm
atom     x     y     z   Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1  .4186 .2093 .2252  1.784  .0228  .0218  .0238  .0109 -.0045 -.0090
Si2  .3868     0 .3627  2.363  .0323  .0319  .0256  .0159 -.0076      0
Si3  .2628 .1314     0  1.627  .0160  .0220  .0238  .0080      0      0
Si4    1/3   2/3 .1384  1.953  .0289  .0289  .0164  .0144      0      0
O1   .1052 .3933 .3031  6.672  .0619  .1152  .7570  .0585  .0350  .0047
O2   .5429 .2715 .8164  5.393  .0229  .0805  .1012  .0114 -.0097 -.0049
O3   .3405 .1702 .1139  4.358  .0536  .0761  .0367  .0268      0      0
O4   .3601     0    .5  4.553  .0627  .0959  .0121  .0479      0      0
O5   .1865     0     0  4.006  .0418  .0132  .0970  .0066      0      0
O6      .5     0 .3451  7.240  .0610  .1523  .0621  .0762      0      0
O7     1/3   2/3     0 10.064  .1735  .1735  .0382  .0868      0      0
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