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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: CuAl30bw |
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Locality: synthetic |
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_database_code_amcsd 0019565 |
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8.0857 8.0857 8.0857 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 .07 .0056 .0056 .0056 0 0 0 |
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MgT .125 .125 .125 .68 .0056 .0056 .0056 0 0 0 |
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AlT .125 .125 .125 .25 .0056 .0056 .0056 0 0 0 |
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CuM .5 .5 .5 .025 .0048 .0048 .0048 -.00021 -.00021 -.00021 |
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MgM .5 .5 .5 .10 .0048 .0048 .0048 -.00021 -.00021 -.00021 |
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AlM .5 .5 .5 .875 .0048 .0048 .0048 -.00021 -.00021 -.00021 |
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O .26203 .26203 .26203 .0085 .0085 .0085 .00018 .00018 .00018 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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