Melanophlogite
Gies H
Zeitschrift fur Kristallographie 164 (1983) 247-257
Studies on clathrasils. III. Crystal structure of
melanophlogite, a natural clathrate compound of silica
_database_code_amcsd 0010856
13.436 13.436 13.436 90 90 90 Pm3n
atom     x     y     z occ  Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
N56    .25    .5     0 .78         .243  1.010   .243      0      0      0
C56    .25    .5     0 .22         .243  1.010   .243      0      0      0
C5       0     0     0             .174   .174   .174      0      0      0
Si1      0 .3098 .1142     1.711  .0259  .0193  .0198      0      0 -.0020
Si2  .1826 .1826 .1826     1.721  .0218  .0218  .0218 -.0002 -.0002 -.0002
Si3    .25     0    .5     1.429  .0127  .0208  .0208      0      0      0
O1   .0963 .2465 .1360     4.882  .0536  .0673  .0646  .0322 -.0125 0.0107
O2       0 .4056 .1813     4.780  .1022  .0368  .0426      0      0 -.0256
O3   .3423     0     0     2.761  .0383  .0164  .0502      0      0      0
O4     .25   .25   .25     5.811  .0736  .0736  .0736 -.0269 -.0269 -.0269