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