Zirconolite
Whittle K R, Hyatt N C, Smith K L, Margiolaki I,
Berry F J, Knight K S, Lumpkin G R
American Mineralogist 97 (2012) 291-298
Combined neutron and X-ray diffraction determination
of disorder in doped zirconolite-2M
Note: CaZrTi2O7
Locality: synthetic
_database_code_amcsd 0020827
12.443024 7.272901 11.380867 90 100.56430 90 C2/c
atom      x      y      z occ   Uiso
Ca   .37324 .12636 .49585     .00447
Zr   .12310 .12211 .97463     .02187
Ti1  .24953 .12344 .74674     .00346
Ti2  .46960 .05336 .25244  .5  .0027
Ti3      .0 .12640    .25     .00302
O1   .30569 .12679 .27877      .0226
O2   .47061 .13387 .10057      .0154
O3   .20838 .08524 .57122      .0161
O4   .39869 .16114 .72062      .0174
O5   .70759 .17321 .58342      .0208
O6   .00327 .12171 .41889      .0172
O7   .11190 .05400 .79053      .0213