Titanite Taylor M, Brown G E American Mineralogist 61 (1976) 435-447 High-temperature structural study of the P2_1/a - A2/a phase transition in synthetic titanite, CaTiSiO5 T = 165 deg C _database_code_amcsd 0000521 7.067 8.726 6.568 90 113.77 90 P2_1/a atom x y z Biso Ca .2434 .4185 .2521 1.56 Ti .5110 .2528 .7504 .82 Si .7536 .4328 .2492 .52 O1 .7519 .3206 .7513 .90 O2 .9110 .3186 .4365 .90 O3 .0901 .1861 .0660 .96 O4 .3813 .4582 .6442 .82 O5 .6179 .0384 .8504 .95