Titanite
Speer J A, Gibbs G V
American Mineralogist 61 (1976) 238-247
The crystal structure of synthetic titanite, CaTiOSiO4, and the domain textures
of natural titanites
_database_code_amcsd 0000500
7.069 8.722 6.566 90 113.86 90 P2_1/a
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca   .2424 .9184 .7512 .01039 .00129 .00294  .00024 -.00050  .00011
Ti   .5134 .7542 .2495 .00348 .00117 .00179  .00011  .00064  .00010
Si   .7486 .9330 .7490 .00224 .00067 .00105 -.00010  .00047  .00001
O1   .7499 .8202 .2502 .00413 .00191 .00686  .00038  .00346  .00046
O2   .9108 .8162 .9347 .00565 .00222 .00271  .00025  .00018  .00007
O3   .3827 .9608 .1459 .00443 .00276 .00279  .00042  .00107  .00047
O4   .9122 .3165 .4368 .00572 .00224 .00195  .00055  .00057  .00039
O5   .3813 .4601 .6468 .00391 .00172 .00323  .00058  .00078  .00066