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Calzirtite |
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Sinclair W, Eggleton R A, McLaughlin G M |
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American Mineralogist 71 (1986) 815-818 |
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Structure refinement of calzirtite from Jacupiranga, Brazil |
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_database_code_amcsd 0001034 |
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15.094 15.094 10.043 90 90 90 I4_1/acd |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Zr1 .01264 .01264 .25 .5 .0140 .0140 .0073 -.0064 .0011 -.0011 |
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Ti2 .16809 .16809 .25 .75 .0065 .0065 .0060 .0001 -.0006 .0006 |
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Fe2 .16809 .16809 .25 .1 .0065 .0065 .0060 .0001 -.0006 .0006 |
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Nb2 .16809 .16809 .25 .15 .0065 .0065 .0060 .0001 -.0006 .0006 |
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Ca3 .33281 .33281 .25 .0069 .0069 .0074 .0001 -.0007 .0007 |
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Zr4 .16152 .01780 .48578 .0047 .0041 .0051 .0002 .0010 -.0001 |
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O1 .25 .2130 .125 .008 .014 .011 0 0 -.0030 |
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O2 .25 .4303 .125 .008 .008 .006 0 0 .0000 |
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O3 .2433 .0776 .3309 .017 .009 .010 -.0060 .0010 .0000 |
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O4 .1135 .0827 .1236 .014 .011 .011 -.0020 .0000 .0000 |
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O5 .0655 .0795 .6193 .017 .008 .007 -.0020 -.0010 .0000 |
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