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Mitryaevaite |
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Cahill C L, Krivovichev S V, Burns P C, Bekenova G K, Shabanova T A |
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The Canadian Mineralogist 39 (2001) 179-186 |
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The crystal structure of mitryaevaite, Al5(PO4)2[(P,S)O3(OH,O)]2F2(OH)2(H2O)8*6.48H2O, |
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determined from a microcrystal using synchrotron radiation |
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_database_code_amcsd 0005711 |
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6.918 10.127 10.296 77.036 73.989 76.272 P-1 |
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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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Al1 .0218 .3840 .2142 .0005 .0008 .0018 .0000 -.0005 .0000 |
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Al2 0 0 0 .0001 .0008 .0018 .0001 -.0004 -.0001 |
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Al3 .4982 .8020 -.0738 .0002 .0009 .0020 .0000 -.0003 -.0001 |
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P1 .1243 .0573 .2564 .0006 .0008 .0016 .0000 -.0004 .0000 |
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P2 .1069 .6704 .0400 .0002 .0007 .0017 .0000 -.0004 .0000 |
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O1 -.0034 .1999 .2799 .0009 .0009 .0024 .0001 -.0001 -.0001 |
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O2 .3454 .0664 .1784 .0002 .0012 .0023 -.0003 -.0001 .0000 |
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O3 .0258 -.0150 .1817 .0011 .0017 .0022 -.0006 -.0007 -.0002 |
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OH4 .1316 -.0337 .3988 .0015 .0018 .0016 .0001 -.0004 .0005 |
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O5 -.1234 .3940 .0844 .0008 .0014 .0019 -.0001 -.0004 -.0004 |
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O6 .0238 .5749 .1723 .0007 .0010 .0017 -.0003 -.0002 .0001 |
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O7 -.0347 .8131 .0391 .0001 .0009 .0026 -.0001 -.0005 -.0002 |
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O8 .3250 .6843 .0387 .0002 .0013 .0022 -.0001 -.0006 .0001 |
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OH9 .2793 .3420 .0948 .0002 .0012 .0022 .0000 .0001 .0000 |
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F .2780 .9466 -.0573 .0003 .0011 .0029 .0000 -.0003 -.0001 |
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Wat10 .5552 .8235 .0932 .0012 .0014 .0021 -.0001 -.0005 -.0003 |
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Wat11 -.2358 .4312 .3462 .0010 .0017 .0023 .0000 .0001 -.0001 |
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Wat12 .1615 .3754 .3604 .0021 .0026 .0026 -.0008 -.0013 .0000 |
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Wat13 .4266 .7855 -.2399 .0013 .0026 .0025 -.0006 -.0006 -.0005 |
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Wat14 .1449 .2532 .6258 .0037 .0034 .0026 -.0011 .0003 -.0006 |
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Wat15 -.5917 .5645 .2907 .0027 .0034 .0037 -.0008 -.0017 .0006 |
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Wat16 .4210 -.2521 .4478 .0035 .0031 .0049 .0008 .0007 .0014 |
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Wat17 .5 0 .5 .48 .0140 .0093 .0180 -.0005 -.0120 -.0033 |
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H1 -.5920 .6340 .3210 .0017 |
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H2 .4820 .8930 .1350 .0035 |
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H3 .1420 .3190 .6850 .0021 |
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View JMOL 3-D Structure (permalink) |
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