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Neltnerite |
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de Villiers J P R, Dobson S M, Buseck P R |
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European Journal of Mineralogy 3 (1991) 567-573 |
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Refinement of the crystal structure of neltnerite, |
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a member of the bixbyite-braunite group of minerals |
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_database_code_amcsd 0006420 |
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9.468 9.468 18.862 90 90 90 *I4_1/acd |
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0 -.25 .125 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaM1 0 1/4 .125 .95 .0053 .0050 .0050 .0059 -.0009 0 0 |
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MnM1 0 1/4 .125 .05 .0053 .0050 .0050 .0059 -.0009 0 0 |
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MnM2 0 0 0 .0045 .0044 .0047 .0043 -.0015 -.0010 -.0001 |
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MnM3 .0283 0 1/4 .0048 .0037 .0052 .0055 0 0 .0014 |
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MnM4 .2375 .4875 .125 .0045 .0045 .0045 .0044 -.0011 .0003 -.0003 |
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Si 0 1/4 .375 .0044 .0037 .0037 .0058 0 0 0 |
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O1 .1566 .3642 .0531 .0064 .0071 .0048 .0074 -.0012 .0014 -.0008 |
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O2 .1422 .0791 .0564 .0052 .0054 .0054 .0048 -.0014 -.0012 -.0001 |
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O3 .4212 .1355 .0748 .0069 .0070 .0074 .0064 -.0009 -.0012 -.0018 |
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