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 #039 at P = 2.65 GPa, T = 576 K
_database_code_amcsd 0002562
6.9915 8.6849 6.5051 90 113.497 90 A2/a
atom    x    y    z
Ca    .25 .168    0
Ti    1/2    0  1/2
Si    3/4 .190    0
O1    3/4 .058  1/2
O3   .907 .065 .174
O5   .381 .206 .396