Stibnite Kyono A, Kimata M American Mineralogist 89 (2004) 932-940 Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb1.426Bi.574S3 _database_code_amcsd 0003557 11.318 3.8872 11.228 90 90 90 Pnma atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Sb1 .47530 .25 .32590 .684 2.00 .0345 .0196 .0219 0 -.0022 0 Bi1 .47530 .25 .32590 .316 2.00 .0345 .0196 .0219 0 -.0022 0 Sb2 .34720 .75 .03490 .743 2.16 .0289 .0244 .0286 0 .0027 0 Bi2 .34720 .75 .03490 .257 2.16 .0289 .0244 .0286 0 .0027 0 S1 .2907 .25 .1924 1.75 .028 .021 .017 0 .004 0 S2 .5493 .75 .1243 1.85 .027 .023 .021 0 .002 0 S3 .3754 .75 .4395 1.89 .028 .025 .019 0 -.005 0