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Mandarinoite |
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Hawthorne F C |
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The Canadian Mineralogist 22 (1984) 475-480 |
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The crystal structure of mandarinoite, Fe2Se3O9.6H2O |
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_database_code_amcsd 0005198 |
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16.810 7.880 10.019 90 98.26 90 P2_1/c |
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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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Se1 .9814 .0402 .3157 .0012 .0035 .0018 -.0001 .0003 .0002 |
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Se2 .2232 .7278 .7296 .0012 .0037 .0019 -.0001 .0001 .0004 |
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Se3 .5277 .4819 .8133 .0011 .0042 .0017 .0001 .0003 .0001 |
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Fe1 .3992 .7447 .9105 .0011 .0033 .0019 .0001 .0004 .0003 |
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Fe2 .9056 .2408 .0462 .0012 .0039 .0012 .0000 .0002 .0000 |
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O1 .9804 .2132 .4165 .0010 .0055 .0026 -.0003 .0004 -.0028 |
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O2 .0778 -.0288 .3678 .0012 .0058 .0024 .0000 -.0004 .0010 |
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O3 .9993 .1372 .1715 .0017 .0095 .0016 -.0004 .0014 .0001 |
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O4 .3144 -.1765 .7662 .0008 .0079 .0021 -.0005 -.0004 .0007 |
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O5 .1916 -.1686 .5793 .0021 .0054 .0013 -.0007 .0001 .0004 |
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O6 .1688 -.1602 .8291 .0019 .0062 .0030 -.0003 .0019 -.0028 |
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O7 .5206 .3855 .6606 .0020 .0055 .0004 .0004 -.0002 -.0003 |
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O8 .4301 .5483 .8012 .0010 .0049 .0017 .0018 .0004 .0002 |
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O9 .4777 .6841 .0774 .0020 .0062 .0011 .0007 .0002 .0023 |
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O10 .3162 -.4275 .9668 .0022 .0078 .0024 .0002 .0010 .0013 |
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O11 .3560 -.0759 .0322 .0017 .0046 .0020 .0001 -.0005 .0020 |
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O12 .8857 .0073 -.0482 .0017 .0048 .0045 -.0006 .0009 -.0015 |
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O13 .6401 .7601 .0739 .0017 .0110 .0054 -.0006 .0003 -.0002 |
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O14 .2525 .3129 .2005 .0076 .0063 .0077 -.0006 .0031 .0016 |
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O15 .1779 .2416 .4283 .0026 .0092 .0061 -.0016 .0009 -.0007 |
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H1 .27 .56 .93 1.0 |
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H2 .35 .49 .97 1.0 |
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H3 .39 .92 .12 1.0 |
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H4 .37 -.01 .99 1.0 |
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H5 .06 -.05 .06 1.0 |
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H6 .11 .13 .05 1.0 |
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H7 .41 .28 .41 1.0 |
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H8 .23 .2 .57 1.0 |
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H9 .28 .39 .19 1.0 |
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H10 .15 .10 .37 1.0 |
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H11 .18 .31 .35 1.0 |
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