Na3Tl5[(UO2)(MoO4)2]2(H2O)3
Krivovichev S V, Burns P C
The Canadian Mineralogist 41 (2003) 707-719
Crystal chemistry of uranyl molybdates. VIII. Crystal structures of
Na3Tl3[(UO2)(MoO4)4], Na13-xTl3+x[(UO2)(MoO4)3]4(H2O)6+x (x=0.1),
Na3Tl5[(UO2)(MoO4)2]2(H2O)3 and Na2[(UO2)(MoO4)2](H2O)4
Sample 3
_database_code_amcsd 0005857
10.7662 11.9621 12.8995 90 90 90 P2_12_12_1
atom        x      y       z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U      .29343 .52182  .07025     .0138  .0142  .0167  .0105 -.0004  .0008  .0003
Tl(1) -.07078 .68815  .08152     .0357  .0321  .0381  .0368  .0053 -.0024 -.0033
Tl(2)  .49257 .21540 -.07094     .0475  .0542  .0413  .0471 -.0030  .0019 -.0038
Tl(3)   .8298 .37234 -.17244  .5 .0484  .0695  .0392  .0366  .0050 -.0151 -.0033
Mo(1)  .66663 .48353  .05762     .0200  .0152  .0231  .0217 -.0032 -.0024  .0062
Mo(2)  .46129 .51265 -.20599     .0162  .0138  .0225  .0123  .0011 -.0005  .0000
Mo(3)  .37730 .39293  .33171     .0189  .0169  .0236  .0163  .0028  .0013  .0012
Na(1)   .7591  .6618  -.1881      .026   .031   .019   .028  -.001  -.007   .004
Na(2)    .751   .350   -.181  .5  .075   .033   .075    .12  -.003  -.021  -.063
O(1)    .3542  .5058   .2407      .025   .028   .033   .014  -.006  -.002  -.010
O(2)    .2853  .3760   .0594      .032   .043   .037   .015   .015   .001  -.013
O(3)    .2984  .6702   .0840      .030   .065   .016   .009   .012   .015   .003
O(4)    .7353  .5002   .1784      .039   .050   .035   .033   .009  -.028   .005
O(5)    .3454  .5258  -.1101      .025   .024   .038   .013   .003  -.001  -.006
O(6)    .5609  .4004  -.1807      .033   .021   .038   .039   .010   .002  -.009
O(7)    .2734  .2825   .3101      .029   .043   .015   .029   .009   .013  -.003
O(8)    .3813  .4454   .4635      .031   .029   .055   .009  -.002  -.004   .003
O(9)    .3930  .4894  -.3279      .030   .024   .052   .013  -.002  -.004  -.009
O(10)   .5458  .6358  -.2084      .034   .027   .036   .041   .000   .006   .002
O(11)   .5236  .3437   .3036      .034   .019   .052   .032   .007   .007   .009
O(12)   .5041  .5196   .0547      .042   .015   .086   .024   .005  -.004  -.010
Wat13   .7426  .7921  -.3248      .037   .035   .041   .035   .010   .001   .002
O(14)   .6793  .3419   .0198      .045   .058   .037   .041   .007  -.030  -.003
O(15)   .7489  .5658  -.0302      .054   .062   .070   .029  -.001   .002   .014
Wat16    .989   .342   -.172  .5  .031   .031   .011    .05  -.003  -.015  -.001