Retgersite
Ptasiewicz-Bak H, Olovsson I, McIntyre G J
Acta Crystallographica B49 (1993) 192-201
Bonding deformation and superposition in the
electron density of tetragonal NiSO4*6H2O at 25K
Sample: T = 25 K, X-ray refinement
_database_code_amcsd 0009871
6.7778 6.7778 18.176 90 90 90 P4_32_12
atom       x       y       z  Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Ni   -.21263 -.21263       0 .0034 .00340 .00340 .00330 -.00027 -.00006  .00006
S    -.70930 -.70930       0 .0036 .00342 .00342 .00400  .00001  .00021 -.00021
O4   -.61859 -.62253 -.06657 .0069  .0056  .0057  .0081   .0001  -.0008  -.0009
O5   -.92513 -.67304 -.00160 .0064  .0065  .0064  .0056   .0007   .0005   .0002
ODw1 -.17382  .04447 -.05339 .0081  .0091  .0071  .0080  -.0028  -.0029   .0024
ODw2 -.47239 -.24597 -.05710 .0064  .0090  .0064  .0054  -.0011   .0022   .0006
ODw3 -.06753 -.35981 -.08595 .0061  .0039  .0066  .0089   .0009   .0000  -.0004