Kesterite
Bonazzi P, Bindi L, Bernardini G P, Menchetti S
The Canadian Mineralogist 41 (2003) 639-647
A model for the mechanism of incorporation of Cu, Fe and Zn in the
stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4
Sample: Fe030
_database_code_amcsd 0005841
5.4250 5.4250 10.868 90 90 90 I-42m
atom        x      y      z occ   Uiso
Cu(4d)      0    1/2    1/4 .50 .01558
Zn(4d)      0    1/2    1/4 .35 .01558
Fe(4d)      0    1/2    1/4 .15 .01558
Cu(2a)      0      0      0     .01734
Sn(2b)      0      0    1/2     .00985
S(8i)  .75621 .75621 .87185     .01030