Thornasite Li Y, Krivovichev S V, Burns P C American Mineralogist 85 (2000) 1521-1525 The crystal structure of thornasite: A novel interrupted silicate framework _database_code_amcsd 0002591 29.124 29.124 17.2602 90 90 120 R-3c atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Th .15425 .82091 1/12 .017 .017 .014 .009 -.001 .001 Si1 .1684 .9008 -.0861 .016 .020 .012 .007 .001 .005 Si2 .0641 .8073 -.0689 .014 .019 .017 .008 -.002 -.001 Si3 .1595 .9499 .0598 .016 .013 .017 .007 .000 .002 Si4 .0991 .7289 -.0929 .017 .012 .013 .006 -.001 .001 Si5 .0645 .9663 .0512 .036 .039 .060 .022 .000 -.003 Si6 0 0 .3415 .039 .039 .079 .020 0 0 Na1 .1486 .8954 .2413 .114 .076 .030 .065 .008 .003 Na2 .0287 .8237 .1184 .060 .141 .053 .059 -.004 .009 O1 .1925 .8713 -.0390 .027 .028 .019 .017 .007 .010 O2 .1629 .9054 .1074 .045 .016 .017 .017 -.004 .000 O3 .1362 .7548 -.0195 .031 .025 .023 .016 -.016 -.008 O4 .0769 .8109 .0204 .019 .038 .015 .016 -.002 -.004 O5 .0082 .8033 -.0885 .018 .054 .017 .019 .001 -.001 O6 .0587 2/3 -1/12 .022 .011 .041 .006 .006 .011 O7 .0628 .7563 -.1099 .029 .021 .022 .017 -.007 -.005 O8 .1086 .8592 -.1150 .017 .019 .024 .003 -.004 .005 O9 .1658 .9465 -.0346 .030 .017 .015 .010 -.001 .001 O10 .1998 .9313 -.1628 .029 .040 .018 .018 .013 .017 O11 .1033 .9466 .0762 .028 .065 .046 .034 .002 .010 O12 .0960 .0159 -.0067 .066 .049 .089 .022 .008 .023 O13 0 0 .25 .000 .000 .089 .000 0 0 O14 .0432 .9822 .1254 .053 .083 .084 .043 .011 -.009 Wat15 .2323 0 .25 .210 .210 .040 .107 .012 .023 Wat16 .0998 .9422 .2668 .210 .170 .130 .090 -.025 .029 Wat17 0 .8910 .25 .370 .370 .380 .187 -.003 -.002 Wat18 .3072 .0421 .3408 .155 .080 .121 .051 .058 -.009