Zirconolite
Grey I E, Mumme W G, Ness T J, Roth R S, Smith K L
Journal of Solid State Chemistry 174 (2003) 285-295
Structural relations between weberite and zirconolite polytypes - refinements
of doped 3T and 4M Ca2Ta2O7 and 3T CaZrTi2O7
Locality: synthetic
Sample: T = 123 K
Note: polytype Zirconolite-3T
_database_code_amcsd 0014037
7.228 7.228 16.805 90 90 120 P3_121
atom      x     y      z  occ  Uiso
CaM1  .8325     0    1/3 .840 .0071
ThM1  .8325     0    1/3 .040 .0071
ZrM1  .8325     0    1/3  .12 .0071
CaM2  .3342     0    1/3 .618 .0096
ThM2  .3342     0    1/3 .262 .0096
ZrM2  .3342     0    1/3  .12 .0096
ZrM3  .1647 .6633 .01782  .96 .0071
CaM3  .1647 .6633 .01782  .04 .0071
TiM4  .3291     0    5/6  .44 .0063
AlM4  .3291     0    5/6  .44 .0063
ZrM4  .3291     0    5/6  .12 .0063
TiM5  .9217  .050  .8319  .26  .016
ZrM5  .9217  .050  .8319  .06  .016
AlM5'  .917  .110   .833  .18  .016
TiM6  .4995 .3323 .16426  .82 .0085
AlM6  .4995 .3323 .16426  .08 .0085
ZrM6  .4995 .3323 .16426  .10 .0085
O1     .600  .629  .1450       .019
O2     .007  .828  .0669       .012
O3     .526  .305  .0469       .007
O4     .192  .218  .1458       .012
O5     .525  .889  .0546       .009
O6     .939  .309  .0548       .008
O7     .211  .616  .1395       .015