IMA2008-067
Koennecke M, Miehe G, Fuess H
Zeitschrift fur Kristallographie 201 (1992) 147-155
Static disorder of dodecasil 3C. A single-crystal study with synchrotron radiation
Note: T = 523 K, split position refinement
Locality: Synthetic
_database_code_amcsd 0011022
19.369 19.369 19.369 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1  .06742 .06742 .37000       .0313  .0313  .0322  .0026 -.0031 -.0031
Si2  .21637 .21637 .21637       .0276  .0276  .0276 -.0004 -.0004 -.0004
Si3    .125   .125   .125       .0241  .0241  .0241      0      0      0
O1        0  .3433 -.3433        .055   .113   .113  -.025  -.025  -.018
O2    .1887  .1887  .2889   .5   .082   .082   .029  -.029   .012   .012
O3    .2074  .2059  .2966  .25   .116   .107   .063  -.039   .000   .033
O4     .125   .125  .3791   .5   .105   .105   .061  -.032      0      0
O5     .125   .125  .3688   .5   .043   .043   .107  -.023      0      0
O6    .1728  .1838  .1549 .167   .095   .054   .032  -.047  -.026   .015