data_global
_amcsd_formula_title 'Cu3V2O8(H2O)'
loop_
_publ_author_name
'Leblanc M'
'Ferey G'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 46 
_journal_year 1990
_journal_page_first 15
_journal_page_last 18
_publ_section_title
;
 Room-temperature structures of oxocopper(II) vanadate(V) hydrates,
 Cu3V2O8(H2O) and CuV2O6(H2O)2
;
_database_code_amcsd 0010088
_chemical_formula_sum 'Cu3 V2 O9 H2'
_cell_length_a 7.444
_cell_length_b 6.658
_cell_length_c 7.759
_cell_angle_alpha 90
_cell_angle_beta 93.57
_cell_angle_gamma 90
_cell_volume 383.806
_exptl_crystal_density_diffrn      3.795
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-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
Cu1   0.00000   0.00000   0.00000   0.00950
Cu2   0.16250   0.25000   0.70410   0.00963
Cu3   0.32370   0.25000   0.07030   0.01102
V1   0.66130   0.25000   0.78410   0.00709
V2   0.73320   0.25000   0.33350   0.00785
O1   0.09620   0.25000  -0.05950   0.00887
O2   0.23820  -0.03700   0.12970   0.01393
O3   0.44650   0.25000   0.82630   0.01520
O4   0.86130   0.45420   0.29600   0.01520
O5   0.53960   0.25000   0.21420   0.02153
O6   0.68030   0.25000  -0.44250   0.02280
Wat   0.21200   0.25000   0.45760   0.02406