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