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Simferite |
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Yakubovich O V, Bairakov V V, Simonov M A |
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Doklady Akademii Nauk SSSR 307 (1989) 1119-1122 |
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Crystal structure of simferite Li(Mg,Fe3+,Mn3+)2[PO4]2 |
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_database_code_amcsd 0012480 |
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4.7468 10.101 5.8992 90 90 90 Pbnm |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Li 0 0 0 .5 1.2 .009986 .002940 .010776 -.002086 -.002678 -.002937 |
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Mg -.0242 .27780 .25 .5 .77 .008987 .001911 .005244 -.000261 0 0 |
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Fe3+ -.0242 .27780 .25 .3 .77 .008987 .001911 .005244 -.000261 0 0 |
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Mn3+ -.0242 .27780 .25 .2 .77 .008987 .001911 .005244 -.000261 0 0 |
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P .4173 .09608 .25 .63 .006879 .001519 .004669 0 0 0 |
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O1 .7357 .1084 .25 .99 .006990 .003161 .007902 -.000574 0 0 |
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O2 .1809 .4520 .25 1.04 .013536 .001691 .008980 .000261 0 0 |
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O3 .2763 .1683 .0462 1.06 .011761 .002965 .006825 .000782 -.000089 .001091 |
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View JMOL 3-D Structure (permalink) |
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