American Mineralogist Crystal Structure Database

2 matching records for this search.

Dodecasil 3C
 
Koennecke M, Miehe G, Fuess H
Download zk/vol201/ZK201_147.pdf
Zeitschrift fur Kristallographie 201 (1992) 147-155
Static disorder of dodecasil 3C. A single-crystal study with synchrotron radiation
Note: T = 523 K, conventional anisotropic refinement
Locality: Synthetic
_database_code_amcsd 0011023
19.369 19.369 19.369 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1  .06750  .0675 .37010  .0331  .0331  .0323  .0029 -.0036 -.0036
Si2  .21641 .21641 .21641  .0274  .0274  .0274 -.0009 -.0009 -.0009
Si3    .125   .125   .125  .0250  .0250  .0250      0      0      0
O1        0  .3434 -.3434   .044   .101   .101  -.021  -.021  -.016
O2    .2004  .2004  .2936   .117   .117   .036  -.003   .023   .023
O3    .3763   .125   .125   .074   .059   .059      0      0  -.027
O4    .1702  .1702  .1702   .127   .127   .127  -.052  -.052  -.052
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View JMOL 3-D Structure (permalink)
 
Dodecasil 3C
 
Koennecke M, Miehe G, Fuess H
Download zk/vol201/ZK201_147.pdf
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 0011024
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
Download AMC data (View Text File)
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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