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 #019 at P = 3.97 GPa, T = 659 K
_database_code_amcsd 0002542
6.9656 8.6709 6.4816 90 113.399 90 A2/a
atom    x    y    z
Ca    .25 .166    0
Ti    1/2    0  1/2
Si    3/4 .193    0
O1    3/4 .052  1/2
O3   .930 .069 .176
O5   .398 .219 .390