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 #037 at P = 2.87 GPa, T = 666 K
_database_code_amcsd 0002560
6.9915 8.6881 6.5068 90 113.492 90 A2/a
atom    x     y    z
Ca    .25 .1674    0
Ti    1/2     0  1/2
Si    3/4  .189    0
O1    3/4  .050  1/2
O3   .908  .066 .175
O5   .386  .210 .398