Laachite
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: CaZrFeNbO7, model 3
Locality: synthetic
_database_code_amcsd 0020831
12.670281 7.378349 11.525772 90 100.66950 90 C2/c
atom       x      y       z occ  Uiso
Ca    .37665 .12293  .49666     .0177
Zr    .11915 .12839 .974528     .0258
Fe1   .24856 .12356  .74309 .21 .0092
Nb1   .24856 .12356  .74309 .79 .0092
Fe2   .46946 .06708  .25155 .50 .0239
Fe3       .0 .13079     .25 .58 .0125
Nb3       .0 .13079     .25 .42 .0125
O1    .30083 .12864  .28376     .0178
O2    .46886 .13961  .09774     .0167
O3    .20485 .08221  .56824     .0125
O4    .39554 .16499  .71682     .0146
O5    .71011 .18073  .58384     .0153
O6   -.00603 .12121  .41724     .0145
O7    .11093 .05351  .79435     .0185