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Ferroalluaudite |
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Corbin D R, Whitney J F, Fultz W C, Stucky G D, Eddy M M, Cheetham A K |
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Inorganic Chemistry 25 (1986) 2279-2280 |
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Synthesis of open-framework transition-metal phosphates using organometallic |
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precursors in acidic media. Preparation and structural characterization of |
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Fe5P4O20H10 and NaFe3P3O12 |
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Note: structure from ICSD |
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_database_code_amcsd 0012695 |
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11.998 12.328 6.500 90 114.185 90 C2/c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na 0 .9709 .25 .0166 .1068 .0151 0 .0044 0 |
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Fe1 .78904 .83999 -.12791 .0116 .0078 .0104 .0004 .0068 .0001 |
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Fe2 .5 .78329 .25 .0101 .0106 .0107 0 .0063 0 |
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P1 .78365 .88869 .38621 .0087 .0073 .0074 .0003 .0039 -.0010 |
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P2 .5 .81971 -.25 .0073 .0077 .0064 0 .0026 0 |
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O1 .7855 .8205 .1928 .0107 .0103 .085 .0004 .0042 -.0010 |
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O2 .6451 .9085 .3436 .0088 .0093 .0156 .0005 .0060 .0010 |
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O3 .8460 .8286 .6107 .0119 .0116 .0074 .0019 .0039 .0015 |
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O4 .8456 .9975 .3987 .0121 .0085 .0132 -.0011 .0061 .0000 |
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O5 .6070 .8941 -.2321 .0089 .0095 .0147 -.0019 .0048 .0003 |
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O6 .5348 .7483 -.0381 .010 .0121 .0085 .0003 .0043 .0020 |
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