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Spinel |
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Fregola R A, Bosi F, Skogby H, Halenius U |
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American Mineralogist 97 (2012) 1821-1827 |
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Cation ordering over short-range and long-range scales |
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in the MgAl2O4-CuAl2O4 series |
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Sample: CuAl70aw |
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Locality: synthetic |
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_database_code_amcsd 0019567 |
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8.0852 8.0852 8.0852 90 90 90 *Fd3m |
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.125 .125 .125 |
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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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CuT .125 .125 .125 .24 .0067 .0067 .0067 0 0 0 |
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MgT .125 .125 .125 .52 .0067 .0067 .0067 0 0 0 |
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AlT .125 .125 .125 .24 .0067 .0067 .0067 0 0 0 |
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CuM .5 .5 .5 .085 .00523 .00523 .00523 -.00024 -.00024 -.00024 |
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MgM .5 .5 .5 .035 .00523 .00523 .00523 -.00024 -.00024 -.00024 |
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AlM .5 .5 .5 .875 .00523 .00523 .00523 -.00024 -.00024 -.00024 |
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O .26198 .26198 .26198 .0096 .0096 .0096 .0001 .0001 .0001 |
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View JMOL 3-D Structure (permalink)
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