Na3Tl3[(UO2)(MoO4)4]
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 1
_database_code_amcsd 0005855
20.5823 7.4391 26.2514 90 90 90 Pbcn
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        .50971  .37338  .12930      .0155  .0090  .0218  .0156 -.0010  .0002 -.0018
Mo(1)    .40279   .7642 -.00948      .0187  .0138  .0230  .0192  .0017  .0006  .0012
Mo(2)    .39264   .3970  .24780      .0170  .0113  .0248  .0150  .0010  .0017  .0011
Mo(3)    .67391  -.3644  .12343      .0168  .0137  .0194  .0174 -.0029  .0005  .0018
Mo(4)    .34990   .1179  .11875      .0255  .0248  .0275  .0240 -.0069  .0057 -.0056
Tl(1)    .32829  .62135  .11755      .0348  .0309  .0412  .0323  .0026 -.0017 -.0033
Tl(2)    .57676 -.25801  .00878      .0302  .0239  .0364  .0303 -.0019 -.0096 -.0015
Tl(3)    .21487  .39732  .24619      .0338  .0291  .0315  .0409 -.0013 -.0018 -.0077
Na(1)     .8404  -.3695   .1344       .022   .013   .013   .040  -.011   .014  -.013
Na(2)     .2590   .0386  -.0162       .033   .018   .037   .046  -.001   .000  -.009
Na(3)      .967   -.668   .1870  .35  .070
Na(4)     .9949   -.637   .1622  .65  .059
O(1)      .4133   .2709   .0954       .024   .011   .040   .022  -.004  -.001   .009
O(2)      .3503   .5992   .0135       .024   .018   .022   .031  -.005   .003   .000
O(3)      .5411   .1478   .1409       .021   .012   .025   .027  -.002   .006  -.004
O(4)      .4686   .6544  -.0438       .020   .023   .018   .018  -.004  -.003  -.001
O(5)      .3591   .9173  -.0492       .031   .034   .030   .029   .008  -.005   .005
O(6)      .4387   .8817   .0392       .034   .023   .038   .040   .009  -.010   .008
O(7)      .7120  -.3029   .0666       .028   .023   .036   .026  -.005   .007  -.005
O(8)      .3401   .5621   .2267       .032   .035   .024   .037   .006  -.019   .001
O(9)      .6207  -.5466   .1128       .027   .017   .033   .031   .003   .007  -.001
O(10)     .4427   .4963   .2954       .026   .013   .040   .024  -.008  -.010   .000
O(11)     .6325  -.1813   .1496       .035   .041   .019   .044  -.002   .022  -.002
O(12)     .4820   .5961   .1198       .033   .015   .043   .041   .010   .003   .002
O(13)     .3457   .2273   .2763       .030   .032   .037   .021  -.010   .006   .004
O(14)     .2967    .235   .1601       .049   .022   .058   .068  -.007   .025  -.016
O(15)     .7351   -.428   .1668       .043   .029   .052   .049  -.007  -.013   .006
O(16)     .3808  -.0596   .1554       .050   .085   .028   .036  -.010   .017   .000
O(17)     .3060    .034   .0673       .044   .018   .065   .049  -.016   .011  -.025
O(18)     .4397   .3020   .1975       .035   .024   .051   .029  -.002   .006  -.016