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 1
Locality: synthetic
_database_code_amcsd 0020829
12.670281 7.378349 11.525772 90 100.66950 90 C2/c
atom       x      y       z occ   Uiso
Ca    .37677 .12347  .49708     .01483
Zr    .11926 .12832 .974373     .02281
Fe1   .24865 .12406  .74347 .50 .00715
Nb1   .24865 .12406  .74347 .50 .00715
Fe2   .47087 .06952  .25151 .50 .02430
Nb3       .0 .13108     .25     .02371
O1    .30165 .12702  .28512      .0186
O2    .46881 .13738  .09745      .0178
O3    .20436 .08169  .56876      .0107
O4    .39578 .16061  .71542      .0176
O5    .71143 .17661  .58436      .0196
O6   -.00434 .11928  .42021      .0172
O7    .11282 .05607  .79397      .0187