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