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, neutron refinement
Note: anisoU's from ICSD
_database_code_amcsd 0009870
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   -.21245 -.21245       0 .0027  .0028  .0028  .0025 -.0003  .0000  .0000
S    -.70911 -.70911       0 .0030  .0028  .0028  .0035 -.0003  .0003 -.0003
O4   -.61859 -.62248 -.06655 .0058  .0071  .0052  .0050 -.0013  .0022  .0003
O5   -.92505 -.67228 -.00159 .0053  .0032  .0053  .0073  .0007 -.0004 -.0004
O1   -.17388  .04476 -.05344 .0068  .0081  .0056  .0067 -.0024 -.0022  .0021
O2   -.47243 -.24605 -.05701 .0056  .0047  .0057  .0064 -.0001 -.0012 -.0007
O3   -.06757 -.35978 -.08493 .0052  .0057  .0051  .0050  .0005  .0003 -.0004
H11   .92220  .14593 -.04112 .0206  .0193  .0172  .0252 -.0067 -.0052  .0008
H12   .74951  .08165 -.09621 .0212  .0254  .0232  .0149 -.0010 -.0084  .0057
H21  -.57037 -.14552 -.05730 .0222  .0163  .0197  .0306  .0087 -.0001 -.0033
H22   .46394  .62418 -.05963 .0199  .0201  .0138  .0258 -.0049 -.0010 -.0022
H31   .01042  .53081 -.06586 .0202  .0219  .0163  .0223  .0078 -.0004  .0038
H32   .01639  .72461 -.11639 .0191  .0187  .0191  .0194 -.0037  .0056  .0039