Titanite
Kunz M, Arlt T, Stolz J
American Mineralogist 85 (2000) 1465-1473
In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure
and high temperature
Sample #045 at P = 1.88 GPa, T = 301 K
_database_code_amcsd 0002568
7.0014 8.6869 6.5081 90 113.533 90 P2_1/a
atom    x     y    z
Ca   .256 .9159 .762
Ti   .526  .757 .237
Si   .723  .937 .755
O1   .779  .822 .275
O2   .910  .817 .909
O3   .377  .931 .134
O4   .912  .315 .448
O5   .374  .469 .659