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 #024 at P = 3.86 GPa, T = 399 K
_database_code_amcsd 0002547
6.9543 8.6586 6.4707 90 113.380 90 A2/a
atom    x    y    z
Ca    .25 .161    0
Ti    1/2    0  1/2
Si    3/4 .196    0
O1    3/4 .032  1/2
O3   .928 .076 .177
O5   .393 .215 .387