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Kesterite |
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Hall S R, Szymanski J T, Stewart J M |
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The Canadian Mineralogist 16 (1978) 131-137 |
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Kesterite, Cu2(Zn,Fe)SnS4, and stannite, Cu2(Fe,Zn)SnS4, |
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structurally similar but distinct minerals |
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_database_code_amcsd 0005151 |
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5.427 5.427 10.871 90 90 90 I-4 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu 0 0 0 .0184 .0184 .0192 0 0 0 |
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Sn .5 .5 0 .0085 .0085 .0077 0 0 0 |
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Cu 0 .5 .25 .0171 .0171 .0148 0 0 0 |
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Zn .5 0 .25 .71 .0146 .0146 .0153 0 0 0 |
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Fe .5 0 .25 .28 .0146 .0146 .0153 0 0 0 |
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Cd .5 0 .25 .01 .0146 .0146 .0153 0 0 0 |
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S .7560 .7566 .8722 .0108 .0106 .0107 -.0004 .0004 .0005 |
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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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Kesterite |
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Bonazzi P, Bindi L, Bernardini G P, Menchetti S |
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The Canadian Mineralogist 41 (2003) 639-647 |
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A model for the mechanism of incorporation of Cu, Fe and Zn in the |
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stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4 |
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Sample: Fe030 |
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_database_code_amcsd 0005841 |
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5.4250 5.4250 10.868 90 90 90 I-42m |
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atom x y z occ Uiso |
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Cu(4d) 0 1/2 1/4 .50 .01558 |
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Zn(4d) 0 1/2 1/4 .35 .01558 |
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Fe(4d) 0 1/2 1/4 .15 .01558 |
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Cu(2a) 0 0 0 .01734 |
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Sn(2b) 0 0 1/2 .00985 |
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S(8i) .75621 .75621 .87185 .01030 |
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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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Kesterite |
|
Bonazzi P, Bindi L, Bernardini G P, Menchetti S |
|
The Canadian Mineralogist 41 (2003) 639-647 |
|
A model for the mechanism of incorporation of Cu, Fe and Zn in the |
|
stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4 |
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Sample: Fe020 |
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_database_code_amcsd 0005842 |
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5.428 5.428 10.864 90 90 90 I-42m |
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atom x y z occ Uiso |
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Cu(4d) 0 1/2 1/4 .50 .01781 |
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Zn(4d) 0 1/2 1/4 .40 .01781 |
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Fe(4d) 0 1/2 1/4 .10 .01781 |
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Cu(2a) 0 0 0 .01969 |
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Sn(2b) 0 0 1/2 .01328 |
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S(8i) .75611 .75611 .87184 .01236 |
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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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Kesterite |
|
Bonazzi P, Bindi L, Bernardini G P, Menchetti S |
|
The Canadian Mineralogist 41 (2003) 639-647 |
|
A model for the mechanism of incorporation of Cu, Fe and Zn in the |
|
stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4 |
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Sample: Fe000 |
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_database_code_amcsd 0005843 |
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5.434 5.434 10.856 90 90 90 I-42m |
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atom x y z occ Uiso |
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Cu(4d) 0 1/2 1/4 .50 .01300 |
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Zn(4d) 0 1/2 1/4 .50 .01300 |
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Cu(2a) 0 0 0 .01516 |
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Sn(2b) 0 0 1/2 .00711 |
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S(8i) .75617 .75617 .87208 .00775 |
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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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