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 #022 at P = 4.11 GPa, T = 525 K
_database_code_amcsd 0002545
6.9540 8.6603 6.4674 90 113.348 90 A2/a
atom    x    y    z
Ca    .25 .163    0
Ti    1/2    0  1/2
Si    3/4 .197    0
O1    3/4 .048  1/2
O3   .924 .071 .172
O5   .396 .217 .388