Ullmannite
Foecker A J, Jeitschko W
Journal of Solid State Chemistry 162 (2001) 69-78
The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary
compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)
Locality: synthetic
_database_code_amcsd 0014009
5.9341 5.9341 5.9341 90 90 90 P2_13
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ni   .98123 .98123 .98123 .00655 .00655 .00655 .00655 .00002 .00002 .00002
Sb   .62674 .62674 .62674 .00652 .00652 .00652 .00652 .00035 .00035 .00035
S    .38118 .38118 .38118  .0070  .0070  .0070  .0070 -.0001 -.0001 -.0001