American Mineralogist Crystal Structure Database

2 matching records for this search.

Chalcanthite
Download hom/chalcanthite.pdf
Bacon G E, Titterton D H
Download zk/vol141/ZK141_330.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chalcanthite
Download hom/chalcanthite.pdf
Bacon G E, Titterton D H
Download zk/vol141/ZK141_330.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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