Stibnite 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 0008966 11.311 3.836 11.229 90 90 90 Pnma atom x y z Sb1 .5293 .25 .1739 Sb2 .6495 .75 .4640 S1 .6251 .75 .0614 S2 .7079 .25 .3083 S3 .4503 .75 .3769