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Phaunouxite |
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Catti M, Ivaldi G |
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Acta Crystallographica B39 (1983) 4-10 |
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On the topotactic dehydration Ca3(AsO4)2*11H2O (phaunouxite) -> |
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Ca3(AsO4)2*10H2O (rauenthalite), and the structures of both minerals |
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Locality: Sainte Marie-aux-Mines, Alsace, France |
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_database_code_amcsd 0009785 |
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12.563 12.181 6.205 88.94 91.67 113.44 P-1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .1682 .5660 .3208 .0108 .0143 .0102 .0080 .0057 -.0009 -.0007 |
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Ca2 .1084 .3371 .8407 .0108 .0152 .0104 .0067 .0069 .0009 .0010 |
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Ca3 .1605 .9097 .4957 .0120 .0184 .0103 .0074 .0065 .0001 .0014 |
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As1 .2598 .1854 .1645 .0097 .0119 .0096 .0075 .0050 .0008 .0004 |
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As2 .0859 .6283 .7746 .0084 .0128 .0088 .0037 .0063 .0004 .0006 |
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O1 .1814 .2015 -.0493 .018 .0250 .019 .011 .014 -.008 -.004 |
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O2 .1683 .0845 .3344 .018 .024 .017 .014 .008 .003 .007 |
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O3 .3226 .3166 .2967 .019 .025 .015 .017 .007 -.001 -.003 |
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O4 .3633 .1436 .0786 .018 .013 .017 .024 .007 -.004 -.007 |
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O5 -.0452 .6345 .8097 .012 .014 .013 .009 .008 .002 .000 |
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O6 .0535 .4850 .7066 .013 .022 .006 .011 .005 -.004 -.003 |
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O7 .1501 .7135 .5617 .012 .023 .011 .002 .008 .003 .004 |
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O8 .1687 .6715 .9993 .014 .021 .016 .006 .007 .000 .001 |
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Wat1 .3618 .7127 .3905 .029 .021 .035 .032 .012 -.005 -.013 |
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Wat2 .2515 .4467 .5563 .019 .023 .019 .014 .012 .001 -.002 |
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Wat3 .2759 .4839 .0635 .016 .012 .021 .014 .006 .006 .001 |
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Wat4 .0554 .2158 .5053 .014 .021 .014 .008 .011 .001 .001 |
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Wat5 -.0879 .1696 .8650 .018 .031 .017 .006 .008 .004 -.001 |
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Wat6 .0719 .9804 .7864 .018 .025 .012 .016 .003 -.001 -.003 |
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Wat7 .3377 .9390 .3182 .040 .032 .048 .039 .025 .016 .019 |
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Wat8 .3003 .9697 .7735 .048 .059 .057 .027 .043 -.030 -.031 |
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Wat9 .4023 .8017 .8229 .039 .029 .047 .040 .015 -.005 .007 |
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Wat10 .4349 .3049 .7068 .032 .030 .031 .036 .010 .006 .008 |
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Wat11 .4536 .5426 .7790 .027 .017 .036 .029 .003 .006 .003 |
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