American Mineralogist Crystal Structure Database

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Ce3 I S8 Si2
 
Gauthier G, Kawasaki S, Jobic S, Macaudiere P, Brec R, Rouxel J
Journal of Materials Chemistry 8 (1998) 179-186
Characterization of Ce3 (Si S4)2 I, a compound with a new structure type
_cod_database_code 1008901
_database_code_amcsd 0016768
15.9634 7.8502 10.8664 90 97.931 90 C2/c
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ce1  .19688 .12029 .68020  .0083  .0116  .0081  .0012  .0015  .0007
Ce2      .5 .09620    .75  .0055  .0146  .0141      0  .0020      0
I1        0 .98401    .25  .0107  .0150  .0396      0   .105      0
Si1   .1596  .4628  .0292  .0070   .012   .011  .0005  .0017  .0014
S1    .1446  .2557  .1463  .0095  .0125   .014  .0012  .0039  .0028
S2   .28161  .5690  .0857  .0071  .0152   .011 -.0019  .0007  .0010
S3    .0682  .6538  .0426  .0075  .0125   .015  .0002  .0000 -.0020
S4    .1501  .3994  .8395  .0095  .0142   .010  .0013  .0012 -.0015
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