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 #025 at P = 3.63 GPa, T = 301 K
_database_code_amcsd 0002548
6.9559 8.6586 6.4672 90 113.376 90 A2/a
atom    x    y    z
Ca    .25 .165    0
Ti    1/2    0  1/2
Si    3/4 .196    0
O1    3/4 .047  1/2
O3   .925 .071 .169
O5   .398 .217 .394