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 2
Locality: synthetic
_database_code_amcsd 0020830
12.670281 7.378349 11.525772 90 100.66950 90 C2/c
atom       x      y       z occ   Uiso
Ca    .37635 .12246  .49596     .01700
Zr    .11908 .12845 .974884     .02392
Nb1   .24863 .12375  .74284     .01296
Fe2   .46956 .06860  .25137 .50 .02149
Fe3       .0 .13058     .25     .00598
O1    .30168 .12885  .28364      .0136
O2    .46909 .14037  .09745      .0154
O3    .20563 .08250  .56867      .0149
O4    .39660 .16677  .71722      .0153
O5    .70941 .18171  .58284      .0135
O6   -.00607 .12100  .41584      .0136
O7    .10921 .05150  .79405      .0189