American Mineralogist Crystal Structure Database

2 matching records for this search.

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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View JMOL 3-D Structure (permalink)
 
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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Total number of retrieved datasets: 2
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