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Leightonite |
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Menchetti S, Bindi L, Bonazzi P, Olmi F |
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American Mineralogist 87 (2002) 721-725 |
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Disordered distribution of Cu in the crystal structure of leightonite, |
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K2Ca2Cu(SO4)4.2H2O |
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Note: H-positions estimated by Kurt Mereiter |
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Locality: Chuquicamata, Chile |
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_database_code_amcsd 0002814 |
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11.654 7.497 10.097 90 125.21 90 C2/c |
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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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K .5889 .6223 .4264 .5 .0182 .0186 .0155 .0210 -.0001 .0117 -.0027 |
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Ow .5889 .6223 .4264 .5 .0182 .0186 .0155 .0210 -.0001 .0117 -.0027 |
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Ca 1/2 .1261 .25 .0112 .0101 .0094 .0133 0 .0062 0 |
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Cu1 .25 3/4 0 .37 .0114 .0102 .0094 .0126 -.0036 .0054 -.0007 |
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Cu2 0 0 0 .13 .0135 .012 .011 .020 -.003 .010 .011 |
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S .6935 .1228 .6374 .0096 .0079 .0108 .0081 -.0017 .0035 -.0004 |
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O1 .8544 .5914 .7579 .0167 .015 .022 .013 .004 .008 -.002 |
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O2 .6599 -.0317 .5290 .0177 .018 .015 .016 -.003 .008 -.004 |
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O3 .6546 .6558 .7624 .0161 .007 .022 .015 .004 .004 .001 |
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O4 .6163 .2760 .5289 .0185 .019 .018 .018 .009 .010 .011 |
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H1 .3293 -.0866 .0590 .5 .05 |
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H2 .4247 .1520 .0594 .5 .05 |
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View JMOL 3-D Structure (permalink) |
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