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 #026 at P = 4.67 GPa, T = 658 K
_database_code_amcsd 0002549
6.9496 8.6605 6.4654 90 113.342 90 A2/a
atom    x    y    z
Ca    .25 .165    0
Ti    1/2    0  1/2
Si    3/4 .194    0
O1    3/4 .057  1/2
O3   .923 .071 .176
O5   .394 .219 .383