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Hohmannite |
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Scordari F |
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Mineralogical Magazine 42 (1978) 144-146 |
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The crystal structure of hohmannite, Fe2(H2O)4[(SO4)2O]*4H2O |
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and its relationship to amaranite, Fe2(H2O)4[(SO4)2O]*3H2O |
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Locality: synthetic |
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9.148 10.922 7.183 90.29 90.79 107.36 P-1 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 .4022 .4571 .3384 .9 .0048 .0022 .0028 .0003 .0005 -.0007 |
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Fe2 .6693 .7607 .3044 1.0 .0055 .0023 .0029 .0000 .0009 -.0004 |
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S1 .1399 .1742 .3089 1.0 .0056 .0027 .0040 .0001 .0004 -.0009 |
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S2 .5915 .3543 .0194 .9 .0052 .0025 .0030 .0009 .0009 -.0005 |
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O1 .1645 .1685 .5126 1.8 .0073 .0055 .0037 -.0009 -.0001 .0000 |
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O2 -.0193 .1574 .2700 1.5 .0063 .0052 .0109 .0004 -.0001 -.0014 |
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O3 .2334 .3017 .2431 1.5 .0080 .0036 .0042 -.0001 .0011 -.0002 |
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O4 .1929 .0750 .2173 1.8 .0130 .0033 .0084 .0024 .0029 -.0017 |
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O5 .3531 .5279 .0900 1.6 .0079 .0042 .0055 -.0008 -.0008 .0009 |
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O6 .5523 .7270 .0634 1.6 .0085 .0037 .0044 -.0008 .0000 -.0002 |
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O7 .7045 .2876 .0300 1.9 .0116 .0067 .0065 .0056 .0011 -.0007 |
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O8 .5600 .3901 .2093 1.5 .0077 .0055 .0026 .0027 .0011 -.0016 |
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O9 .5568 .6123 .4259 .9 .0052 .0023 .0028 .0000 .0004 -.0006 |
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Wat10 .7442 .2428 .4473 2.5 .0138 .0074 .0230 .0032 .0064 -.0008 |
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Wat11 .7797 .9303 .1632 2.0 .0116 .0042 .0033 -.0011 .0013 .0001 |
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Wat12 .5379 .8648 .4061 1.6 .0104 .0042 .0101 .0032 .0035 .0001 |
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Wat13 .4877 .0406 .1892 2.5 .0153 .0080 .0144 .0061 .0034 .0025 |
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Wat14 .2234 .5126 .4426 1.4 .0057 .0058 .0121 .0024 .0014 -.0024 |
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Wat15 .1128 .8051 .2167 1.9 .0097 .0064 .0193 .0026 .0036 -.0021 |
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Wat16 .8182 .6790 .1751 1.7 .0085 .0059 .0099 .0023 .0016 -.0028 |
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Wat17 .9839 .4732 .2052 3.3 .0123 .0135 .0321 .0030 -.0044 -.001 |
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