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 #038 at P = 2.74 GPa, T = 619 K _database_code_amcsd 0002561 6.9926 8.6872 6.5068 90 113.494 90 A2/a atom x y z Ca .25 .168 0 Ti 1/2 0 1/2 Si 3/4 .191 0 O1 3/4 .059 1/2 O3 .907 .066 .174 O5 .383 .206 .398