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 = 4.4 GPa
_database_code_amcsd 0002104
6.4850 8.3431 6.2653 90 112.784 90 *A2/a
0 .25 .25
atom     x      y     z
Ca     .25  .4194   .25
SiVI    .5    .25   .75
SiIV   .75  .4378   .25
O1     .75  .3115   .75
O2    .928  .3191 .4475
O3    .396  .4507 .6514