#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/9/9009756.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9009756
_chemical_name '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: X-ray data on a synthetic sample
;
_chemical_formula_sum 'Cu3 V2 O11 H6'
_cell_length_a 10.606
_cell_length_b 5.874
_cell_length_c 7.213
_cell_angle_alpha 90
_cell_angle_beta 94.90
_cell_angle_gamma 90
_cell_volume 447.725
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_symmetry_equiv_pos_as_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_Uiso_or_equiv
Cu1   0.00000   0.00000   0.00000   0.00874
Cu2   0.25000   0.25000   0.00000   0.02292
V   0.99590   0.50000   0.25160   0.00697
O1   0.00000   0.50000   0.50000   0.05408
O2   0.34240   0.50000   0.11430   0.01963
O3   0.06820   0.27210   0.18460   0.02305
O4   0.15480   0.50000   0.84640   0.02558
Ow   0.32610   0.50000   0.47880   0.05965
H   0.35010   0.50000   0.23760   0.07219
H   0.35360   0.37140   0.56390   0.07219