data_global
_amcsd_formula_title 'Na3Tl3[(UO2)(MoO4)4]'
loop_
_publ_author_name
'Krivovichev S V'
'Burns P C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 41 
_journal_year 2003
_journal_page_first 707
_journal_page_last 719
_publ_section_title
;
 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
_chemical_formula_sum 'U Mo4 Tl3 Na3 O18'
_cell_length_a 20.5823
_cell_length_b 7.4391
_cell_length_c 26.2514
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 4019.451
_exptl_crystal_density_diffrn      5.261
_symmetry_space_group_name_H-M 'P b c n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
U   0.50971   0.37338   0.12930   1.00000   0.01550
Mo(1)   0.40279   0.76420  -0.00948   1.00000   0.01870
Mo(2)   0.39264   0.39700   0.24780   1.00000   0.01700
Mo(3)   0.67391  -0.36440   0.12343   1.00000   0.01680
Mo(4)   0.34990   0.11790   0.11875   1.00000   0.02550
Tl(1)   0.32829   0.62135   0.11755   1.00000   0.03480
Tl(2)   0.57676  -0.25801   0.00878   1.00000   0.03020
Tl(3)   0.21487   0.39732   0.24619   1.00000   0.03380
Na(1)   0.84040  -0.36950   0.13440   1.00000   0.02200
Na(2)   0.25900   0.03860  -0.01620   1.00000   0.03300
Na(3)   0.96700  -0.66800   0.18700   0.35000   0.07000
Na(4)   0.99490  -0.63700   0.16220   0.65000   0.05900
O(1)   0.41330   0.27090   0.09540   1.00000   0.02400
O(2)   0.35030   0.59920   0.01350   1.00000   0.02400
O(3)   0.54110   0.14780   0.14090   1.00000   0.02100
O(4)   0.46860   0.65440  -0.04380   1.00000   0.02000
O(5)   0.35910   0.91730  -0.04920   1.00000   0.03100
O(6)   0.43870   0.88170   0.03920   1.00000   0.03400
O(7)   0.71200  -0.30290   0.06660   1.00000   0.02800
O(8)   0.34010   0.56210   0.22670   1.00000   0.03200
O(9)   0.62070  -0.54660   0.11280   1.00000   0.02700
O(10)   0.44270   0.49630   0.29540   1.00000   0.02600
O(11)   0.63250  -0.18130   0.14960   1.00000   0.03500
O(12)   0.48200   0.59610   0.11980   1.00000   0.03300
O(13)   0.34570   0.22730   0.27630   1.00000   0.03000
O(14)   0.29670   0.23500   0.16010   1.00000   0.04900
O(15)   0.73510  -0.42800   0.16680   1.00000   0.04300
O(16)   0.38080  -0.05960   0.15540   1.00000   0.05000
O(17)   0.30600   0.03400   0.06730   1.00000   0.04400
O(18)   0.43970   0.30200   0.19750   1.00000   0.03500
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
U 0.00900 0.02180 0.01560 -0.00100 0.00020 -0.00180
Mo(1) 0.01380 0.02300 0.01920 0.00170 0.00060 0.00120
Mo(2) 0.01130 0.02480 0.01500 0.00100 0.00170 0.00110
Mo(3) 0.01370 0.01940 0.01740 -0.00290 0.00050 0.00180
Mo(4) 0.02480 0.02750 0.02400 -0.00690 0.00570 -0.00560
Tl(1) 0.03090 0.04120 0.03230 0.00260 -0.00170 -0.00330
Tl(2) 0.02390 0.03640 0.03030 -0.00190 -0.00960 -0.00150
Tl(3) 0.02910 0.03150 0.04090 -0.00130 -0.00180 -0.00770
Na(1) 0.01300 0.01300 0.04000 -0.01100 0.01400 -0.01300
Na(2) 0.01800 0.03700 0.04600 -0.00100 0.00000 -0.00900
O(1) 0.01100 0.04000 0.02200 -0.00400 -0.00100 0.00900
O(2) 0.01800 0.02200 0.03100 -0.00500 0.00300 0.00000
O(3) 0.01200 0.02500 0.02700 -0.00200 0.00600 -0.00400
O(4) 0.02300 0.01800 0.01800 -0.00400 -0.00300 -0.00100
O(5) 0.03400 0.03000 0.02900 0.00800 -0.00500 0.00500
O(6) 0.02300 0.03800 0.04000 0.00900 -0.01000 0.00800
O(7) 0.02300 0.03600 0.02600 -0.00500 0.00700 -0.00500
O(8) 0.03500 0.02400 0.03700 0.00600 -0.01900 0.00100
O(9) 0.01700 0.03300 0.03100 0.00300 0.00700 -0.00100
O(10) 0.01300 0.04000 0.02400 -0.00800 -0.01000 0.00000
O(11) 0.04100 0.01900 0.04400 -0.00200 0.02200 -0.00200
O(12) 0.01500 0.04300 0.04100 0.01000 0.00300 0.00200
O(13) 0.03200 0.03700 0.02100 -0.01000 0.00600 0.00400
O(14) 0.02200 0.05800 0.06800 -0.00700 0.02500 -0.01600
O(15) 0.02900 0.05200 0.04900 -0.00700 -0.01300 0.00600
O(16) 0.08500 0.02800 0.03600 -0.01000 0.01700 0.00000
O(17) 0.01800 0.06500 0.04900 -0.01600 0.01100 -0.02500
O(18) 0.02400 0.05100 0.02900 -0.00200 0.00600 -0.01600