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 0010780
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  .0116  .0011  .0069  .0010  .0019 -.0016
Cu2     .5    .5     0  .0088  .0023  .0058  .0019  .0030 -.0005
S    .0142 .2861 .6254  .0117  .0016  .0050  .0022  .0032 -.0008
O1   .9084 .1517 .6735  .0131  .0019  .0137 -.0003  .0020  .0001
O2   .2443 .3175 .7956  .0111  .0024  .0136  .0008 -.0025 -.0020
O3   .8601 .3723 .6369  .0166  .0038  .0105  .0052  .0033 -.0018
O4   .0443 .3013 .3849  .0155  .0040  .0075  .0032  .0051  .0000
O5   .8180 .0735 .1516  .0162  .0031  .0149  .0001  .0085 -.0035
O6   .2898 .1172 .1488  .0161  .0017  .0112  .0002  .0035 -.0010
O7   .4659 .4065 .2972  .0107  .0066  .0090  .0016  .0033  .0032
O8   .7542 .4159 .0190  .0199  .0089  .0065  .0097  .0031 -.0001
O9   .4332 .1240 .6275  .0108  .0041  .0150  .0016  .0032 -.0010
D5A  .8974 .1430 .2525  .0265  .0068  .0271  .0023  .0091 -.0060
D5B  .7171 .0123 .2292  .0273  .0066  .0270  .0013  .0148 -.0031
D6A  .3012 .2013 .0668  .0293  .0045  .0278  .0004  .0100 -.0016
D6B  .3339 .1264 .3184  .0232  .0058  .0179  .0011  .0024 -.0027
D7A  .3234 .3790 .3398  .0218  .0061  .0161  .0026  .0074  .0000
D7B  .6003 .3929 .4251  .0214  .0061  .0142  .0027  .0031 -.0002
D8A  .8012 .4014 .8854  .0213  .0062  .0173  .0051  .0056 -.0017
D8B  .8574 .3842 .1614  .0226  .0080  .0179  .0066  .0050 -.0003
D9A  .6003 .1316 .6671  .0201  .0064  .0273  .0027  .0040 -.0014
D9B  .4108 .1952 .6962  .0278  .0062  .0306  .0025  .0104 -.0026