Chalcanthite Bacon G E, Titterton D H Zeitschrift fur Kristallographie 141 (1975) 330-341 Neutron-diffraction studies of CuSO4*5(H2O) and CuSO4*5(D2O) _database_code_amcsd 0010779 6.141 10.736 5.986 82.27 107.43 102.67 P-1 atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) Cu1 0 0 0 .0089 .0024 .0093 .0011 .0024 -.0017 Cu2 .5 .5 0 .0090 .0026 .0089 .0020 .0017 -.0004 S .0133 .2871 .6253 .0086 .0035 .0029 .0016 -.0005 -.0001 O1 .9072 .1520 .6734 .0116 .0037 .0142 .0001 .0006 .0002 O2 .2442 .3172 .7960 .0107 .0044 .0140 .0009 -.0033 -.0017 O3 .8601 .3724 .6363 .0155 .0051 .0115 .0055 .0025 -.0013 O4 .0444 .3022 .3849 .0137 .0046 .0108 .0032 .0053 .0005 O5 .8176 .0737 .1519 .0157 .0043 .0164 .0014 .0067 -.0033 O6 .2887 .1177 .1490 .0126 .0035 .0131 .0005 .0013 -.0023 O7 .4654 .4063 .2975 .0116 .0066 .0110 .0013 .0029 .0029 O8 .7560 .4161 .0191 .0170 .0085 .0108 .0080 .0027 -.0005 O9 .4350 .1263 .6289 .0092 .0061 .0150 .0013 .0026 .0005 H5A .8980 .1412 .2547 .0241 .0096 .0310 .0023 .0073 -.0096 H5B .7185 .0126 .2283 .0249 .0098 .0276 .0007 .0147 -.0030 H6A .3010 .2016 .0667 .0292 .0049 .0270 -.0003 .0085 -.0016 H6B .3341 .1270 .3188 .0245 .0060 .0167 .0020 .0009 -.0033 H7A .3231 .3785 .3406 .0177 .0095 .0189 .0037 .0068 .0003 H7B .6016 .3937 .4256 .0198 .0068 .0148 .0029 .0013 .0018 H8A .8012 .4011 .8847 .0203 .0070 .0177 .0045 .0070 -.0012 H8B .8570 .3845 .1620 .0199 .0109 .0180 .0074 .0033 -.0017 H9A .6033 .1321 .6671 .0130 .0116 .0302 .0038 .0012 -.0010 H9B .4108 .1932 .6922 .0254 .0047 .0346 .0026 .0065 -.0019