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 #012 at P = 2.87 GPa, T = 666 K
_database_code_amcsd 0002535
6.9915 8.6881 6.5068 90 113.492 90 A2/a
atom    x    y    z
Ca    .25 .163    0
Ti    1/2    0  1/2
Si    3/4 .193    0
O1    3/4 .063  1/2
O3   .916 .067 .175
O5   .401 .220 .402