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 = 5.8 GPa
_database_code_amcsd 0002105
6.4699 8.3294 6.2444 90 112.688 90 *A2/a
0 .25 .25
atom     x      y     z
Ca     .25  .4191   .25
SiVI    .5    .25   .75
SiIV   .75  .4369   .25
O1     .75  .3098   .75
O2    .916  .3194 .4446
O3    .393  .4497 .6487