American Mineralogist Crystal Structure Database

2 matching records for this search.

Ba6 Co25 S27
 
Snyder G, Badding M, DiSalvo F
 
Inorganic Chemistry 31 (1992) 2107-2110
Synthesis, structure and properties of Ba6Co25S27: a perovskite-
like superstructure of Co8S6 and Ba6S clusters
_cod_database_code 1005012
_database_code_amcsd 0012703
10.033 10.033 10.033 90 90 90 Pm3m
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1      .5     .5 .19603   .017   .017   .012      0      0      0
Co1  .13220 .36218 .13220   .014   .018   .014  -.001   .000  -.001
Co2       0      0      0   .012   .012   .012      0      0      0
S1       .5     .5     .5   .015   .015   .015      0      0      0
S2        0  .2361      0   .014   .012   .014      0      0    .16
S3    .2767  .2767  .2767   .016   .016   .016   .003   .003   .003
S4        0     .5  .2462   .015   .015   .012      0      0      0
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Ba Co S2
 
Snyder G, Gelabert M, DiSalvo F
 
Journal of Solid State Chemistry 113 (1994) 355-361
Refined structure and properties of the layered Mott insulator Ba Co S2
_cod_database_code 1005016
_database_code_amcsd 0013832
6.4413 6.4926 8.9406 90 90 90 Cmma
atom   x   y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1    0 .25 .1981   .019   .011   .013      0      0      0
Co1    0 .25 .5932   .023   .016   .014      0      0      0
S1     0 .25 .8496   .021   .009   .011      0      0      0
S2   .25  .5    .5   .013   .062   .017      0      0      0
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Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
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