data_global
_amcsd_formula_title 'Cs2[(UO2)(MoO4)2](H2O)'
loop_
_publ_author_name
'Krivovichev S V'
'Burns P C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 43 
_journal_year 2005
_journal_page_first 713
_journal_page_last 720
_publ_section_title
;
 Crystal chemistry of the uranyl molybdates. XI. Crystal structures of
 Cs2[(UO2)(MoO4)2] and Cs2[(UO2)(MoO4)2](H2O)
;
_database_code_amcsd 0006005
_chemical_formula_sum 'U Mo2 Cs2 O11 H2'
_cell_length_a 8.222
_cell_length_b 11.0993
_cell_length_c 13.9992
_cell_angle_alpha 90
_cell_angle_beta 95.155
_cell_angle_gamma 90
_cell_volume 1272.378
_exptl_crystal_density_diffrn      4.561
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-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_U_iso_or_equiv
U   0.47609   0.72547   0.15249   0.02010
Mo1   0.49952   0.60953  -0.09714   0.02270
Mo2   0.74909   0.96972  -0.15144   0.02050
Cs1   0.23257   0.92489  -0.11853   0.03080
Cs2   0.95150   0.66308   0.07868   0.08090
O1   0.42400   0.45790  -0.08940   0.02400
O2   0.41910   0.71190  -0.01650   0.03400
O3   0.29270   0.65030   0.16830   0.02900
O4   0.66570   0.09780  -0.10040   0.04100
O5   0.66350   0.79940   0.14010   0.03800
O6   0.42090   0.65730  -0.21310   0.03800
O7   0.84440   0.89360  -0.05590   0.02900
O8   0.59490   0.87840  -0.21390   0.03000
O9   0.70820   0.61600  -0.09160   0.04000
O10   0.90010   0.00710  -0.22540   0.04200
Wat   0.98770   0.19400  -0.33700   0.13200
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 0.02710 0.01560 0.01730 0.00210 -0.00010 -0.00080
Mo1 0.03660 0.01410 0.01720 -0.00140 0.00120 -0.00050
Mo2 0.02340 0.01690 0.02080 0.00180 -0.00030 -0.00170
Cs1 0.03400 0.03150 0.02620 0.00560 -0.00090 -0.00040
Cs2 0.04630 0.11200 0.08160 0.00970 -0.00820 0.00850
O1 0.03000 0.02300 0.01900 -0.00100 0.00600 0.00700
O2 0.05500 0.02400 0.02300 0.01000 -0.00100 0.00000
O3 0.02400 0.03300 0.03200 0.00100 0.00300 0.00200
O4 0.07900 0.02400 0.01900 0.01700 -0.00200 -0.00800
O5 0.04800 0.02200 0.04500 -0.01500 0.01000 0.00700
O6 0.06500 0.02900 0.01800 -0.01600 -0.00100 0.00400
O7 0.03400 0.02900 0.02100 0.00800 -0.00700 0.00300
O8 0.03000 0.03200 0.02700 -0.01200 -0.00500 -0.00800
O9 0.04200 0.03200 0.04700 -0.00300 0.00600 -0.00100
O10 0.03200 0.05100 0.04300 -0.00100 0.00500 0.01300