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Guanajuatite |
 |
Caracas R, Gonze X |
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Physics and Chemistry of Minerals 32 (2005) 295-300 |
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First-principles study of the electronic properties of A2B3 minerals, |
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with A=Bi,Sb and B=S,Se |
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Note: Hypothetical sulphosalt structure derived from density functional theory |
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_database_code_amcsd 0008969 |
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11.830 4.090 11.620 90 90 90 Pnma |
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atom x y z |
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Bi1 .512 .25 .172 |
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Bi2 .657 .75 .466 |
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Se1 .630 .75 .056 |
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Se2 .713 .25 .307 |
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Se3 .433 .75 .376 |
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| 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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Guanajuatite |
 |
Atabaeva E Y, Mashkov S A, Popova S V |
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Kristallografiya 18 (1973) 173-174 |
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The crystal structure of a new modification of Bi2Se3-II |
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Locality: Guanajuato, Mexico |
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_database_code_amcsd 0014181 |
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11.83 4.09 11.62 90 90 90 Pnma |
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atom x y z |
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Bi1 .012 .25 .328 |
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Bi2 .343 .25 .534 |
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Se1 .067 .25 .876 |
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Se2 .870 .25 .556 |
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Se3 .213 .25 .193 |
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| 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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