Ca(Ti,Zr)OGeO4
Ellemann-Olesen R, Malcherek T
American Mineralogist 90 (2005) 687-694
Temperature and composition dependence of structural phase transitions in
Ca(TixZr1-x)OGeO4.
Sample: Ti20, triclinically distorted titanite structure
_database_code_amcsd 0003765
7.35292 9.10000 6.75633 89.085 113.024 91.001 A-1
atom      x     y     z  occ Uiso
Ca    .2329 .6674 .5044      .020
Ti1      .5    .5     0 .222 .009
Zr1      .5    .5     0 .778 .009
Ti2       0    .5     0 .222 .011
Zr2       0    .5     0 .778 .011
Ge    .7495 .6810 .4972      .018
O1    .7452 .5822 .9973      .008
O2A   .9216 .5617 .6757      .008
O2B   .5958 .5554 .3329      .008
O3A   .3879 .7142 .8923      .008
O3B   .1232 .7040 .1283      .008