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Thadeuite |
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Isaacs A M, Peacor D R |
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American Mineralogist 67 (1982) 120-125 |
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The crystal structure of thadeuite, Mg(Ca,Mn)(Mg,Fe,Mn)2(PO4)2(OH,F)2 |
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_database_code_amcsd 0000859 |
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6.412 13.563 8.545 90 90 90 C222_1 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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P .1618 .3382 .0459 0.0025 0.0011 0.0024 0.0000 0.0003 0.0001 |
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Mg1 0 .1460 .25 0.0011 0.0011 0.0016 0 0.0002 0 |
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Mg2 .3541 .3840 .4043 .59 0.0028 0.0016 0.0028 0.0002 0.0001 0.0004 |
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Fe2 .3541 .3840 .4043 .29 0.0028 0.0016 0.0028 0.0002 0.0001 0.0004 |
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Mn2 .3541 .3840 .4043 .12 0.0028 0.0016 0.0028 0.0002 0.0001 0.0004 |
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Mn3 .5 .0361 .25 .05 0.0040 0.0012 0.0040 0 0.0001 0 |
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Ca3 .5 .0361 .25 .95 0.0040 0.0012 0.0040 0 0.0001 0 |
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O1 .1199 .2281 .0687 0.0074 0.0013 0.0043 0.0002 0.0004 0.0001 |
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O2 .3328 .3735 .1585 0.0034 0.0026 0.0041 -.0004 -.0008 -.0006 |
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O3 .2733 .1431 .3764 0.0056 0.0022 0.0028 0.0000 -.0018 -.0008 |
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O4 .0347 .3996 .4224 0.0050 0.0016 0.0038 -.0003 0.0002 0.0004 |
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OH .1489 .0385 .1322 0.0063 0.0015 0.0031 0.0005 0.0003 0.0005 |
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