Guanajuatite
Caracas R, Gonze X
Physics and Chemistry of Minerals 32 (2005) 295-300
First-principles study of the electronic properties of A2B3 minerals,
with A=Bi,Sb and B=S,Se
Note: Hypothetical sulphosalt structure derived from density functional theory
_database_code_amcsd 0008969
11.830 4.090 11.620 90 90 90 Pnma
atom    x   y    z
Bi1  .512 .25 .172
Bi2  .657 .75 .466
Se1  .630 .75 .056
Se2  .713 .25 .307
Se3  .433 .75 .376