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NH4Cr(SO4)2*12H2O |
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Rempfer N, Lerner H W, Bolte M |
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Acta Crystallographica E60 (2004) i80-i81 |
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The ammonium chromium(III) alum NH4Cr(SO4)2*12H2O |
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_database_code_amcsd 0010434 |
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12.2491 12.2491 12.2491 90 90 90 Pa3 |
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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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N 0 .5 .5 .0323 .0323 .0323 .0323 -.0160 .0160 -.0160 |
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H1 .012 .544 .553 2/3 .039 |
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Cr .5 .5 .5 .00994 .00994 .00994 .00994 -.00036 -.00036 -.00036 |
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S .80864 .69136 .30864 .01273 .01273 .01273 .01273 -.00183 .00183 -.00183 |
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O1 .81058 .73618 .41998 .0252 .0219 .0348 .0190 -.0111 .0042 -.0126 |
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O2 .73931 .76069 .23931 .0340 .0340 .0340 .0340 .0085 -.0085 .0085 |
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O3 .48764 .51483 .34114 .0148 .0197 .0134 .0114 .0013 -.0016 -.0003 |
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H3A .4708 .5712 .3131 .035 |
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H3B .4803 .4626 .2983 .036 |
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O4 .04676 .63817 .69723 .0220 .0205 .0188 .0266 .0038 .0060 .0058 |
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H4A .0075 .6829 .7082 .026 |
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H4B .104 .6663 .7085 .039 |
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