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 #009 at P = 1.77 GPa, T = 555 K _database_code_amcsd 0002532 7.0186 8.6983 6.5272 90 113.617 90 P2_1/a atom x y z Ca .274 .911 .766 Ti .519 .755 .254 Si .755 .934 .748 O1 .869 .788 .247 O2 .912 .811 .940 O3 .403 .971 .176 O4 .942 .319 .432 O5 .387 .458 .655