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 #031 at P = 4.61 GPa, T = 396 K
_database_code_amcsd 0002554
6.9385 8.6498 6.4533 90 113.348 90 A2/a
atom    x    y    z
Ca    .25 .160    0
Ti    1/2    0  1/2
Si    3/4 .196    0
O1    3/4 .042  1/2
O3   .919 .077 .177
O5   .389 .218 .378