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Wagnerite |
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Amisano Canesi A, Chiari G |
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European Crystallographic Meeting 14 (1992) 189-189 |
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Refinement of very-high-pressure wagnerite, Mg2(PO4)F |
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_database_code_amcsd 0012516 |
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9.650 12.731 11.961 90 108.22 90 P2_1/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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Mg1 .5514 .0710 .9137 .0051 .0069 .0067 .0009 -.0000 .0001 |
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Mg2 .4665 .0694 .5998 .0078 .0070 .0064 -.0010 .0028 .0001 |
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Mg3 .0452 .1816 .9200 .0052 .0075 .0070 -.0003 .0013 -.0003 |
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Mg4 .9659 .1773 .6078 .0052 .0073 .0065 .0004 .0016 -.0001 |
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Mg5 .1911 .0190 .1902 .0054 .0090 .0053 -.0021 .0013 -.0011 |
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Mg6 .7887 .0028 .3068 .0050 .0064 .0052 -.0018 .0017 .0013 |
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Mg7 .3059 .2313 .3136 .0063 .0085 .0079 .0001 .0019 -.0002 |
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Mg8 .7071 .2465 .1941 .0063 .0172 .0073 -.0007 .0023 .0003 |
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P1 .1156 .0784 .4256 .0042 .0028 .0034 -.0007 .0007 -.0003 |
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P2 .8797 .0733 .0760 .0037 .0060 .0041 .0015 .0015 -.0006 |
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P3 .3822 .1773 .0749 .0040 .0058 .0047 .0009 .0015 -.0001 |
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P4 .6208 .1798 .4234 .0031 .0051 .0044 -.0014 .0007 .0006 |
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O1 .1748 .1119 .3260 .011 .012 .008 -.001 .003 -.001 |
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O2 .7972 .0935 .1637 .011 .009 .010 -.001 .004 .001 |
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O3 .3150 .1432 .1711 .006 .007 .005 -.004 .003 -.001 |
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O4 .6925 .1512 .3294 .006 .005 .006 .002 .003 .000 |
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O5 .2427 .0490 .5348 .008 .016 .006 -.001 .002 .001 |
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O6 .7684 .0555 .9510 .007 .010 .006 -.003 .001 .002 |
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O7 .2617 .2051 .9597 .004 .006 .007 -.0004 .001 .003 |
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O8 .7397 .2058 .5398 .003 .005 .003 .002 -.002 .001 |
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O9 .9838 .0161 .6211 .007 .003 .005 -.001 .001 -.001 |
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O10 .0249 .0250 .8836 .004 .007 .006 -.002 .002 .001 |
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O11 .4861 .2293 .6177 .007 .011 .009 .003 .002 -.000 |
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O12 .5173 .2243 .8811 .006 .008 .009 -.002 .002 .002 |
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O13 .4706 .0825 .0497 .008 .004 .009 .002 .005 -.000 |
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O14 .5204 .0875 .4396 .007 .006 .007 -.004 .003 -.004 |
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O15 .0256 .1641 .4569 .009 .012 .007 -.001 .003 .001 |
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O16 .9840 .1610 .0692 .007 .009 .007 .002 .002 .003 |
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F1 .4198 .0450 .7545 .014 .017 .009 -.004 .001 -.002 |
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F2 .6747 .0837 .7136 .014 .015 .015 .001 .000 .004 |
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F3 .1755 .1612 .7148 .013 .012 .015 -.001 .000 -.001 |
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F4 .9172 .2081 .7594 .016 .021 .011 .005 .005 .000 |
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