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Tuite |
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Thompson R M, Xie X, Zhai S, Downs R T, Yang H |
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American Mineralogist 98 (2013) 1585-1592 |
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A comparison of the Ca3(PO4)2 and CaSiO3 systems, with a new structure refinement |
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of tuite synthesized at 15 GPa and 1300 deg C |
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Locality: synthetic |
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_database_code_amcsd 0020245 |
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5.2522 5.2522 18.690 90 90 120 R-3m |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 0 0 0 .01285 .0164 .0164 .0059 .00818 0 0 |
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Ca2 0 0 .20359 .01001 .0116 .0116 .0068 .00580 0 0 |
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P 0 0 .40508 .00603 .0064 .0064 .0052 .00322 0 0 |
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O1 0 0 .32372 .0151 .0193 .0193 .0066 .0097 0 0 |
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O2 .17371 .34742 .09950 .0114 .0140 .0073 .0106 .0036 .00023 .0005 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Tuite |
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Sugiyama K, Tokonami M |
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Physics and Chemistry of Minerals 15 (1987) 125-130 |
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Structure and crystal chemistry of a dense polymorph of |
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tricalcium phosphate Ca3(PO4)2: a host to accommodate |
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large lithophile elements in the Earth's mantle |
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_database_code_amcsd 0007447 |
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5.2487 5.2487 18.6735 90 90 120 R-3m |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca1 0 0 0 1.24 .0168 .0168 .00066 .0084 0 0 |
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Ca2 0 0 .2036 1.04 .0130 .0130 .00070 .0065 0 0 |
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P 0 0 .4052 .71 .0075 .0075 .00063 .00375 0 0 |
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O1 0 0 .3235 1.38 .0198 .0198 .00062 .0099 0 0 |
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O2 -.1591 .1591 .4327 1.07 .0144 .0144 .00097 .0119 .0000 .0000 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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