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: natural
_database_code_amcsd 0001898
7.0425 8.7155 6.5376 90 113.629 90 A2/a
atom     x      y     z Biso
Ti      .5      0    .5  .75
Ca     .25 .16684     0 1.54
Si     .75  .1828     0  .67
O1     .75  .0744    .5  .88
O2   .9127  .0667 .1834 1.10
O3   .3798  .2105 .3949 1.03