Nevskite
Gaudin E, Jobic S, Evain M, Brec R, Rouxel J
Materials Research Bulletin 30 (1995) 549-561
Charge balance in some BixSey phases through atomic structure determination
and band structure calculations
Locality: synthetic
_database_code_amcsd 0014372
4.212 4.212 22.942 90 90 120 P-3m1
atom   x   y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1  1/3 2/3 .0419 .74 .023   .024   .024   .037  .0122      0      0
Se1' 1/3 2/3 .0419 .26 .023   .024   .024   .037  .0122      0      0
Se1    0   0 .1279     .013   .018   .018   .004   .009      0      0
Bi2  2/3 1/3 .2041     .023   .017   .017   .035  .0087      0      0
Se2  1/3 2/3 .2797     .013   .012   .012   .014   .006      0      0
Bi     0   0 .3727     .009   .009   .009   .007  .0048      0      0
Se3  2/3 1/3 .4404 .72 .021   .019   .019   .025  .0098      0      0
Bi3' 2/3 1/3 .4404 .28 .021   .019   .019   .025  .0098      0      0