American Mineralogist Crystal Structure Database

2 matching records for this search.

Guanajuatite
Download hom/guanajuatite.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Guanajuatite
Download hom/guanajuatite.pdf
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
_database_code_amcsd 0014181
11.83 4.09 11.62 90 90 90 Pnma
atom    x   y    z
Bi1  .012 .25 .328
Bi2  .343 .25 .534
Se1  .067 .25 .876
Se2  .870 .25 .556
Se3  .213 .25 .193
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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