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Wicksite |
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Cooper M A, Hawthorne F C |
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The Canadian Mineralogist 35 (1997) 777-784 |
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The crystal structure of wicksite |
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12.524 12.907 11.646 90 90 90 Pcab |
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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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P1 .39144 .30143 .22496 .0074 .0079 .0068 -.0001 -.0001 -.0006 |
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P2 .10100 .44304 .25356 .0079 .0072 .0071 .0001 -.0002 -.0001 |
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P3 .26745 .12409 .47592 .0102 .0069 .0081 -.0001 -.0010 -.0001 |
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FeM1 .15443 .20669 .22665 .78 .0085 .0083 .0105 .0006 .0009 .0011 |
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MgM1 .15443 .20669 .22665 .21 .0085 .0083 .0105 .0006 .0009 .0011 |
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FeM2 .33291 .04305 .22587 .64 .0073 .0072 .0070 .0006 -.0001 -.0003 |
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MgM2 .33291 .04305 .22587 .27 .0073 .0072 .0070 .0006 -.0001 -.0003 |
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AlM2 .33291 .04305 .22587 .09 .0073 .0072 .0070 .0006 -.0001 -.0003 |
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FeM3 .02571 .26873 .45508 .70 .0207 .0138 .0100 -.0071 -.0024 .0002 |
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MnM3 .02571 .26873 .45508 .30 .0207 .0138 .0100 -.0071 -.0024 .0002 |
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Ca .26395 .37404 .49346 .0120 .0117 .0103 -.0014 -.0012 .0016 |
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Na 0 0 0 .0232 .0372 .0392 .0072 -.0047 .0226 |
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H1 .013 .085 .549 .0700 |
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H2 -.007 .074 .421 .0700 |
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O1 .4989 .2754 .2820 .0086 .0144 .0114 .0017 -.0020 -.0003 |
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O2 .4092 .3380 .1008 .0145 .0138 .0073 .0015 .0016 .0011 |
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O3 .3216 .2027 .2215 .0105 .0122 .0164 -.0024 -.0002 -.0001 |
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O4 .3358 .3850 .2973 .0103 .0139 .0110 .0015 .0007 -.0037 |
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O5 .1660 .5444 .2551 .0163 .0078 .0132 -.0027 .0008 .0006 |
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O6 .1550 .3625 .1765 .0113 .0099 .0088 .0006 .0006 -.0015 |
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O7 .0938 .4034 .3784 .0144 .0116 .0072 .0005 .0006 .0011 |
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O8 -.0097 .4660 .2013 .0122 .0193 .0155 .0049 -.0025 .0003 |
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O9 .1923 .2033 .4165 .0139 .0100 .0114 .0023 -.0005 .0016 |
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O10 .3527 .1897 .5400 .0162 .0144 .0125 -.0054 -.0019 -.0022 |
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O11 .2009 .0519 .5539 .0165 .0088 .0126 -.0031 -.0012 .0016 |
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O12 .3297 .0509 .3959 .0184 .0152 .0127 .0087 -.0034 -.0037 |
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O13 -.0276 .1165 .4864 .0186 .0143 .0124 .0020 .0002 .0017 |
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