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
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
Atabaeva E Y, Mashkov S A, Popova S V
Kristallografiya 18 (1973) 173-174
The crystal structure of a new modification of Bi2Se3-II
Locality: Guanajuato, Mexico
11.83 4.09 11.62 90 90 90 Pnma
Bi1 .012 .25 .328
Bi2 .343 .25 .534
Se1 .067 .25 .876
Se2 .870 .25 .556
Se3 .213 .25 .193
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Total number of retrieved datasets: 2 View in amc, download in amc
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