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Ca5(PO4)3Br |
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Elliott J C, Dykes E, Mackie P E |
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Acta Crystallographica B37 (1981) 435-438 |
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Structure of bromapatite and the radius of the bromide ion |
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_database_code_amcsd 0009730 |
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9.761 9.761 6.739 90 90 120 P6_3/m |
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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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Ca1 1/3 2/3 .0045 .9861 .0029 .0029 .0026 .0015 0 0 |
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Ca2 .2672 .0121 .25 .9834 .0022 .0032 .0032 .0012 0 0 |
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P .4124 .3785 .25 .9654 .0016 .0015 .0023 .0009 0 0 |
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O1 .3533 .4972 .25 .9954 .0055 .0039 .0047 .0037 0 0 |
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O2 .5954 .4642 .25 .9928 .0020 .0022 .0062 .0007 0 0 |
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O3 .3572 .2713 .0662 .0057 .0032 .0050 .0025 -.0024 -.0016 |
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Br1 0 0 0 .9522 .0032 .0032 .0079 .0016 0 0 |
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Br2 0 0 .1032 .0300 .0032 .0032 .0079 .0016 0 0 |
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