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 #021 at P = 4.26 GPa, T = 568 K
_database_code_amcsd 0002544
6.9529 8.6610 6.4677 90 113.347 90 A2/a
atom    x    y    z
Ca    .25 .166    0
Ti    1/2    0  1/2
Si    3/4 .196    0
O1    3/4 .057  1/2
O3   .921 .069 .170
O5   .398 .214 .392