American Mineralogist Crystal Structure Database

1 matching records for this search.

CoNb3S6
 
Anzenhofer K, van den Berg J M, Cossee P, Helle J N
Journal of Physics and Chemistry of Solids 31 (1970) 1057-1067
The crystal structures and magnetic susceptibilities of MnNb3S6, FeNb3S6,
CoNb3S6 and NiNb3S6
_database_code_amcsd 0013198
5.768 5.768 11.886 90 90 120 P6_322
atom      x      y      z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Co      1/3    2/3    .25 .95  .0148  .0148  .0008  .0074      0      0
NbII      0      0      0     .00274 .00274  .0008 .00137      0      0
NbI     1/3    2/3 -.0013     .00262 .00262 .00043 .00131      0      0
S    .33256 .00075  .3678
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