American Mineralogist Crystal Structure Database

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Cernyite
Download hom/cernyite.pdf
Szymanski J T
Download cm/vol16/CM16_147.pdf
The Canadian Mineralogist 16 (1978) 147-151
The crystal structure of cernyite, Cu2CdSnS4, a cadmium analogue of stannite
Note: z-coordinate for S atom changed in order to reproduce bond lengths.
_database_code_amcsd 0005153
5.487 5.487 10.848 90 90 90 I-42m
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cd       0     0     0 .37  .0159  .0159  .0167      0      0      0
Zn       0     0     0 .33  .0159  .0159  .0167      0      0      0
Fe       0     0     0 .29  .0159  .0159  .0167      0      0      0
Mn       0     0     0 .01  .0159  .0159  .0167      0      0      0
Sn      .5    .5     0      .0119  .0119  .0085      0      0      0
Cu       0    .5   .25      .0216  .0216  .0191      0      0      0
S    .7500 .7500 .8684      .0157  .0157  .0126  .0017  .0022  .0022
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