Stefanweissite
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: CaZrTiFe0.5Nb0.5O7
Locality: synthetic
_database_code_amcsd 0020828
12.527951 7.304224 11.426725 90 100.60200 90 C2/c
atom       x      y       z occ    Uiso
Ca    .37500 .12327  .49615      .00885
Zr   .120624 .12688 .972939      .01558
Ti1   .24985 .12456  .74455 .47  .01216
Fe1   .24985 .12456  .74455 .17  .01216
Nb1   .24985 .12456  .74455 .36  .01216
Ti2   .47068 .05956  .25189 .17  .00799
Fe2   .47068 .05956  .25189 .33  .00799
Ti3       .0 .12743     .25 .73  .01454
Nb3       .0 .12743     .25 .27  .01454
O1    .30127 .13051  .28278      .02033
O2    .46962 .13773  .09720     .011151
O3    .20534 .08372  .57080      .00808
O4    .39595 .16728  .71794      .01232
O5    .71063 .17600  .58300      .01167
O6   -.00320 .12173  .41761     .011079
O7    .11246 .05264  .79133      .01009