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 #011 at P = 1.88 GPa, T = 560 K
_database_code_amcsd 0002534
7.0158 8.6986 6.5257 90 113.592 90 A2/a
atom    x    y    z
Ca    .25 .159    0
Ti    1/2    0  1/2
Si    3/4 .188    0
O1    3/4 .079  1/2
O3   .915 .069 .187
O5   .384 .213 .401