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 #004 at P = 1.21 GPa, T = 670 K _database_code_amcsd 0002527 7.0442 8.7132 6.5476 90 113.705 90 P2_1/a atom x y z Ca .264 .914 .743 Ti .517 .751 .243 Si .736 .932 .757 O1 .784 .814 .235 O2 .907 .807 .933 O3 .367 .950 .139 O4 .922 .319 .452 O5 .371 .461 .674