Titanite
Liferovich R P, Mitchell R H
Physics and Chemistry of Minerals 32 (2005) 40-51
Crystal chemistry of titanite-structured compounds:
the CaTi1-xZrxOSiO4 (x <= 0.5) series
Sample: x=0.1
_database_code_amcsd 0008933
7.0788 8.7378 6.5754 90 113.709 90 A2/a
atom     x     y     z occ Biso
CaX    .25 .1689     0     1.44
TiY     .5     0    .5  .9  .88
ZrY     .5     0    .5  .1  .88
Si     .75 .1814     0      .34
O1     .75 .0709    .5      .81
O2   .9087 .0663 .1774      .81
O3   .3823 .2123 .4018      .81