Kesterite
Hall S R, Szymanski J T, Stewart J M
The Canadian Mineralogist 16 (1978) 131-137
Kesterite, Cu2(Zn,Fe)SnS4, and stannite, Cu2(Fe,Zn)SnS4,
structurally similar but distinct minerals
_database_code_amcsd 0005151
5.427 5.427 10.871 90 90 90 I-4
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu       0     0     0      .0184  .0184  .0192      0      0      0
Sn      .5    .5     0      .0085  .0085  .0077      0      0      0
Cu       0    .5   .25      .0171  .0171  .0148      0      0      0
Zn      .5     0   .25 .71  .0146  .0146  .0153      0      0      0
Fe      .5     0   .25 .28  .0146  .0146  .0153      0      0      0
Cd      .5     0   .25 .01  .0146  .0146  .0153      0      0      0
S    .7560 .7566 .8722      .0108  .0106  .0107 -.0004  .0004  .0005