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 #001 at P = 0.21 GPa, T = 300 K
_database_code_amcsd 0002524
7.0572 8.7108 6.5534 90 113.786 90 P2_1/a
atom    x    y    z
Ca   .239 .913 .750
Ti   .527 .753 .246
Si   .759 .934 .774
O1   .766 .810 .270
O2   .897 .800 .928
O3   .353 .945 .125
O4   .895 .338 .436
O5   .378 .468 .646