data_global
_chemical_name_mineral 'Volborthite'
loop_
_publ_author_name
'Lafontaine M A'
'LeBail A'
'Ferey G'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 85 
_journal_year 1990
_journal_page_first 220
_journal_page_last 227
_publ_section_title
;
 Copper-containing minerals - I. Cu3V2O7(OH)2,2H2O: The synthetic homolog
 of volborthite; crystal structure determination from X-ray and neutron data;
 structural correlations
 Note: neutron data on a synthetic sample
;
_database_code_amcsd 0013677
_chemical_formula_sum 'Cu3 V2 O11 H6'
_cell_length_a 10.607
_cell_length_b 5.864
_cell_length_c 7.214
_cell_angle_alpha 90
_cell_angle_beta 94.88
_cell_angle_gamma 90
_cell_volume 447.080
_exptl_crystal_density_diffrn      3.525
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-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   0.01292
Cu2   0.25000   0.25000   0.00000   0.01292
V   0.99590   0.50000   0.25160   0.00697
O1   0.00000   0.50000   0.50000   0.01900
O2   0.34280   0.50000   0.10950   0.01900
O3   0.07560   0.26350   0.18640   0.01900
O4   0.16220   0.50000   0.83810   0.01900
Ow   0.32230   0.50000   0.48940   0.01900
H1   0.35010   0.50000   0.23760   0.07219
H2   0.35360   0.37140   0.56390   0.07219