Titanite
Hughes J M, Bloodaxe E S, Hanchar J M, Foord E E
American Mineralogist 82 (1997) 512-516
Incorporation of rare earth elements in titanite: Stabilization of the A2/a
dimorph by creation of antiphase boundaries
Sample: La-Al
_database_code_amcsd 0001899
7.0348 8.7119 6.5498 90 113.712 90 A2/a
atom     x      y     z  Biso
Ti      .5      0    .5  .693
Ca     .25 .16868     0 1.058
Si     .75 .18262     0  .417
O1     .75  .0698    .5   .69
O2   .9114  .0661 .1853   .77
O3   .3827  .2108 .3970   .68