data_global
_amcsd_formula_title 'Cs2[(UO2)6(MoO4)7(H2O)2]'
loop_
_publ_author_name
'Krivovichev S V'
'Burns P C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 39 
_journal_year 2001
_journal_page_first 207
_journal_page_last 214
_publ_section_title
;
 Crystal chemistry of uranyl molybdates. IV. The structures of
 M2[(UO2)6(MoO4)7(H2O)2] (M=Cs,NH4)
;
_database_code_amcsd 0005716
_chemical_formula_sum 'Cs3 U6 Mo7 O42 H4'
_cell_length_a 13.990
_cell_length_b 10.808
_cell_length_c 25.671
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 3881.556
_exptl_crystal_density_diffrn      5.432
_symmetry_space_group_name_H-M 'P b c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,1/2+y,z'
  'x,1/2-y,-z'
  'x,y,1/2-z'
  '-x,-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
Cs1  -0.38170  -0.25000   0.50000   0.02240
Cs2   0.14470  -0.26820   0.18500   0.06400
U1   0.13221   0.09692   0.25000   0.01650
U2  -0.36884  -0.57221   0.41534   0.01150
U3  -0.13429  -0.06128   0.42750   0.01370
U4  -0.39274  -0.98710   0.25000   0.01470
Mo1  -0.17120   0.25000   0.50000   0.01470
Mo2  -0.39019  -0.91560   0.40159   0.01200
Mo3  -0.33470  -0.26120   0.34624   0.01230
Mo4   0.10653   0.08100   0.40084   0.01470
O1  -0.27100  -0.00100   0.25000   0.02300
O2  -0.42810  -0.77230   0.43050   0.01100
O3  -0.11530  -0.01570   0.36200   0.01700
O4  -0.38820  -0.52030   0.48060   0.01900
O5  -0.16120  -0.11150   0.49220   0.02300
O6  -0.51700  -0.97000   0.25000   0.02700
O7  -0.34660  -0.62450   0.35010   0.01900
O8  -0.27430  -0.94450   0.42590   0.01700
O9  -0.10310   0.13950   0.46670   0.01700
O10  -0.40370  -0.15730   0.30900   0.02000
O11   0.22930   0.05120   0.40840   0.02000
O12  -0.37750  -0.89880   0.33360   0.01800
O13   0.07770   0.23840   0.41270   0.02100
O14  -0.26950  -0.17880   0.39400   0.02000
O15  -0.25490  -0.33280   0.30430   0.02100
O16  -0.46100  -0.04740   0.41380   0.01200
O17  -0.40840  -0.37140   0.37780   0.01700
O18  -0.24200   0.18000   0.54880   0.02500
Wat19  -0.03600   0.00800   0.25000   0.03600
O20   0.03320  -0.02710   0.43430   0.01000
Wat21  -0.36900  -0.75400   0.25000   0.02800
O22   0.08050   0.05880   0.33440   0.03100
O23   0.07500   0.24200   0.25000   0.03600
O24   0.18500  -0.05200   0.25000   0.02500
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
Cs1 0.03400 0.01580 0.01780 0.00000 0.00000 -0.00200
Cs2 0.06600 0.03400 0.09100 -0.01700 0.01800 -0.03300
U1 0.02040 0.01800 0.01120 -0.00460 0.00000 0.00000
U2 0.01220 0.00950 0.01290 0.00040 -0.00120 -0.00010
U3 0.01370 0.01280 0.01440 -0.00060 0.00050 0.00090
U4 0.02110 0.01280 0.01030 0.00040 0.00000 0.00000
Mo1 0.01100 0.01400 0.01900 0.00000 0.00000 0.00180
Mo2 0.01470 0.01020 0.01100 -0.00180 0.00080 -0.00100
Mo3 0.01460 0.01170 0.01050 0.00010 0.00100 0.00060
Mo4 0.01370 0.01470 0.01560 -0.00180 0.00260 0.00060