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Spinel |
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Bosi F, Halenius U, Andreozzi G B, Skogby H, Lucchesi S |
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American Mineralogist 92 (2007) 27-33 |
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Structural refinement and crystal chemistry of Mn-doped spinel: A case for |
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tetrahedrally coordinated Mn3+ in an oxygen-based structure |
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Sample: MgMn05 |
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_database_code_amcsd 0004261 |
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8.0965 8.0965 8.0965 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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MgT .125 .125 .125 .757 .0042 .0042 .0042 0 0 0 |
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AlT .125 .125 .125 .228 .0042 .0042 .0042 0 0 0 |
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Mn2+T .125 .125 .125 .013 .0042 .0042 .0042 0 0 0 |
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Mn3+T .125 .125 .125 .003 .0042 .0042 .0042 0 0 0 |
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AlM .5 .5 .5 .872 .0040 .0040 .0040 0 0 0 |
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MgM .5 .5 .5 .1045 .0040 .0040 .0040 0 0 0 |
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Mn2+M .5 .5 .5 .011 .0040 .0040 .0040 0 0 0 |
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Mn3+M .5 .5 .5 .0125 .0040 .0040 .0040 0 0 0 |
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O .26212 .26212 .26212 .0081 .0081 .0081 0 0 0 |
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