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Bukovskyite |
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Majzlan J, Lazic B, Armbruster T, Johnson M B, White M A, Fisher R A, |
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Plasil J, Loun J, Skoda R, Novak M |
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Journal of Mineralogical and Petrological Sciences 107 (2012) 133-148 |
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Crystal structure, thermodynamic properties, and paragenesis of bukovskyite, |
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Fe2(AsO4)(SO4)(OH)*9H2O |
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Locality: GroBvoigtsberg, Germany |
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_database_code_amcsd 0019196 |
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7.549 10.305 10.904 115.136 99.798 92.864 P-1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe1 .30234 .79994 .27731 .0132 .0119 .0164 .0104 .0029 .0014 .0053 |
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Fe2 .13319 .81929 .57647 .0130 .0122 .0153 .0123 .0026 .0021 .0070 |
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As1 -.26867 .88420 .45416 .01267 .0111 .0142 .0124 .0029 .0012 .0060 |
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S1 .7088 .79879 .91584 .0181 .0178 .0203 .0162 .0033 .0020 .0086 |
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O1 -.1317 .7815 .4982 .0151 .0099 .017 .023 .0053 .0012 .0141 |
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O2 .1969 .7349 .3934 .0169 .021 .013 .015 -.0022 .0068 .0044 |
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O3 -.1588 .9788 .3901 .0146 .016 .017 .012 .0015 .0029 .0069 |
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O4 .3538 .8522 .1224 .0204 .020 .026 .022 .0071 .0091 .0149 |
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O5 -.4449 .7730 .3309 .0161 .0098 .016 .018 .0033 -.0002 .0047 |
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O6 .7852 .8967 .8667 .0250 .024 .029 .031 .0051 .011 .019 |
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O7 .6669 .8827 1.0526 .0276 .022 .035 .025 .0071 .014 .008 |
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O8 .2610 .5896 .1167 .0224 .029 .018 .018 .0020 .0089 .0036 |
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O9 -.3408 .9952 .5960 .0158 .014 .017 .018 .0047 .0048 .0081 |
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O10 .0937 .8825 .7740 .0217 .024 .028 .014 .0006 .0074 .0089 |
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O11 .5440 .7100 .8164 .0313 .032 .032 .027 -.009 -.011 .019 |
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O12 .0376 .8139 .1957 .0265 .018 .041 .014 .013 -.0004 .007 |
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O13 .4048 .8529 .6692 .0246 .014 .034 .033 .0000 -.001 .025 |
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O14 .8418 .7027 .9297 .0254 .031 .028 .019 .0135 .004 .0110 |
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O15 .1354 .6251 .5745 .0192 .025 .017 .021 .0059 .0107 .0117 |
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OW1 -.3540 .4932 .1378 .0290 .029 .028 .029 .003 .007 .012 |
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OW2 .0205 .5271 .7440 .0255 .029 .023 .026 .004 .008 .012 |
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OW3 -.3179 .5768 .5548 .0542 .070 .037 .075 .019 .049 .028 |
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H4 .311 .926 .119 .050 |
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H4A .459 .845 .092 .050 |
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HW11 -.437 .431 .149 .080 |
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HW12 -.385 .580 .177 .080 |
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HW21 .130 .518 .782 .080 |
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HW22 -.029 .593 .810 .080 |
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H12 -.007 .775 .111 .050 |
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H12A -.040 .857 .248 .050 |
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H15 .207 .559 .532 .050 |
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H15A .081 .601 .631 .050 |
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H10 -.010 .878 .802 .050 |
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H10A .164 .959 .833 .050 |
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H8 .308 .571 .042 .050 |
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H8A .249 .513 .128 .050 |
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HW31 -.390 .586 .608 .080 |
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HW32 -.253 .649 .608 .080 |
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H2 .140 .662 .354 .050 |
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H13 .495 .893 .643 .050 |
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H13A .437 .796 .703 .050 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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