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 #005 at P = 1.26 GPa, T = 648 K
_database_code_amcsd 0002528
7.0391 8.7100 6.5433 90 113.686 90 P2_1/a
atom    x    y    z
Ca   .264 .913 .738
Ti   .525 .748 .246
Si   .726 .936 .752
O1   .750 .829 .249
O2   .899 .813 .923
O3   .369 .949 .126
O4   .929 .319 .452
O5   .368 .454 .678