Titanite
Angel R J, Kunz M, Miletich R, Woodland A B, Koch M, Knoche R L
American Mineralogist 84 (1999) 282-287
Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5
titanites
P = 1.0 GPa
_database_code_amcsd 0002102
6.5297 8.3823 6.3227 90 113.087 90 *A2/a
0 .25 .25
atom     x      y     z
Ca     .25  .4202   .25
SiVI    .5    .25   .75
SiIV   .75  .4361   .25
O1     .75  .3098   .75
O2   .9201  .3184 .4481
O3   .3985  .4497 .6547