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
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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
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Chalcanthite
Beevers C, Lipson H
Proceedings of the Royal Society of London A146 (1934) 570-582
The crystal structure of copper sulfate pentahydrate CuSO4(H2O)5
_cod_database_code 1010527
_database_code_amcsd 0017438
6.12 10.7 5.97 82.27 107.43 102.67 P-1
atom x y z
Cu1 0 0 0
Cu2 .5 .5 0
S1 0 .28 .64
O1 .89 .15 .69
O2 .24 .31 .82
O3 .86 .38 .64
O4 .02 .3 .38
O5 .83 .08 .16
O6 .29 .11 .17
O7 .48 .41 .32
O8 .76 .42 .01
O9 .43 .12 .65
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