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 #008 at P = 1.69 GPa, T = 518 K
_database_code_amcsd 0002531
7.0187 8.6965 6.5243 90 113.594 90 P2_1/a
atom    x    y    z
Ca   .266 .912 .754
Ti   .525 .756 .254
Si   .753 .931 .745
O1   .808 .813 .241
O2   .916 .813 .934
O3   .392 .968 .176
O4   .910 .319 .453
O5   .369 .454 .649