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 = 25 deg C _database_code_amcsd 0000520 7.068 8.714 6.562 90 113.82 90 P2_1/a atom x y z Biso Ca .2439 .4184 .2513 1.26 Ti .5124 .2557 .7498 .60 Si .7494 .4327 .2493 .40 O1 .7497 .3212 .7498 .70 O2 .9095 .3175 .4329 .75 O3 .0870 .1851 .0626 .60 O4 .3813 .4586 .6448 .52 O5 .6178 .0381 .8520 .73