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Apatite-(CaF) |
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Hughes J M, Cameron M, Crowley K D |
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American Mineralogist 75 (1990) 295-304 |
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Crystal structures of natural ternary apatites: Solid solution in the |
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Ca5(PO4)3X (X = F,OH,Cl) system |
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_database_code_amcsd 0001292 |
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9.4615 9.4615 6.8491 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 2/3 1/3 .0018 .00417 .00417 0.0037 .002085 0 0 |
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Ca2A -.00699 .23861 .25 .890 .00271 .00132 0.0042 .0009 0 0 |
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Ca2B -.0018 .2709 .25 .110 0.0032 0.0002 0.0037 .0003 0 0 |
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P .36968 .40053 .25 .00258 .00271 0.0038 .0016 0 0 |
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O1 .4862 .3315 .25 0.0043 0.0055 0.0057 .00365 0 0 |
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O2 .4651 .5884 .25 0.0052 0.0030 0.0110 .00215 0 0 |
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O3 .2597 .3450 .0699 0.0052 0.0106 0.0068 .0053 -.0026 -.00405 |
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F 0 0 .25 .390 0.0029 0.0029 0.0220 .00145 0 0 |
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OH 0 0 .200 .140 0.0030 0.0030 0.0120 .0015 0 0 |
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ClB 0 0 .368 .082 0.0056 0.0056 0.0270 .0028 0 0 |
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ClA 0 0 .44 .083 0.0056 0.0056 0.0270 .0028 0 0 |
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