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 #043 at P = 2.16 GPa, T = 399 K
_database_code_amcsd 0002566
6.9990 8.6860 6.5073 90 113.521 90 P2_1/a
atom    x     y    z
Ca   .254 .9172 .759
Ti   .524  .757 .235
Si   .727  .938 .758
O1   .783  .817 .277
O2   .909  .815 .909
O3   .385  .936 .138
O4   .911  .317 .446
O5   .369  .470 .650