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Stibnite |
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Caracas R, Gonze X |
| |
Physics and Chemistry of Minerals 32 (2005) 295-300 |
|
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 0008966 |
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11.311 3.836 11.229 90 90 90 Pnma |
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atom x y z |
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Sb1 .5293 .25 .1739 |
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Sb2 .6495 .75 .4640 |
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S1 .6251 .75 .0614 |
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S2 .7079 .25 .3083 |
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S3 .4503 .75 .3769 |
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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
|
| |
|
Antimonselite |
|
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 0008967 |
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11.794 3.986 11.648 90 90 90 Pnma |
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atom x y z |
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Sb1 .5304 .25 .1721 |
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Sb2 .6475 .75 .4604 |
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Se1 .6289 .75 .0553 |
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Se2 .7141 .25 .3051 |
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Se3 .4464 .75 .3713 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bismuthinite |
|
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 0008968 |
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11.305 3.981 11.147 90 90 90 Pnma |
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atom x y z |
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Bi1 .5165 .25 .1748 |
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Bi2 .6596 .75 .4655 |
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S1 .6230 .75 .0575 |
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S2 .7153 .25 .3063 |
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S3 .4508 .75 .3730 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Guanajuatite |
|
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 |
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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 |
|
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
|
| |
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