data_global
_chemical_name_mineral 'Volborthite'
loop_
_publ_author_name
'Ishikawa H'
'Yamaura J'
'Okamoto Y'
'Yoshida H'
'Nilsen G J'
'Hiroi Z'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 68 
_journal_year 2012
_journal_page_first i41
_journal_page_last i44
_publ_section_title
;
 A novel crystal polymorph of volborthite, Cu3V2O7(OH)2*2H2O
 Note: this is a polymorph of volborthite
;
_database_code_amcsd 0019133
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Cu3 V2 O11 H6'
_cell_length_a 10.6118
_cell_length_b 5.8708
_cell_length_c 14.4181
_cell_angle_alpha 90
_cell_angle_beta 95.0290
_cell_angle_gamma 90
_cell_volume 894.786
_exptl_crystal_density_diffrn      3.523
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-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   0.00920
Cu21   0.25000   0.25000   0.00000   0.00895
Cu22   0.25000   0.75000   0.00000   0.00970
V  -0.00334   0.47640   0.12693   0.00689
O1   0.00000   0.45180   0.25000   0.01930
O2   0.34210   0.49870   0.05851   0.00890
H2   0.34990   0.49840   0.12670   0.01100
O4   0.15830   0.50540  -0.07583   0.01160
Wat5   0.32380   0.48420   0.23920   0.04450
O31   0.06970   0.24360   0.08605   0.01310
O32   0.07570   0.70670   0.10121   0.01400
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
Cu1 0.00760 0.00910 0.01110 -0.00098 0.00120 -0.00276
Cu21 0.00870 0.00660 0.01100 -0.00067 -0.00230 -0.00043
Cu22 0.00950 0.00670 0.01210 0.00068 -0.00370 -0.00037
V 0.00730 0.00820 0.00500 -0.00026 -0.00040 -0.00033
O1 0.02200 0.02760 0.00860 0.00000 0.00180 0.00000
O2 0.00860 0.00850 0.00950 -0.00070 0.00040 -0.00040
O4 0.01040 0.01090 0.01290 0.00020 -0.00210 -0.00010
Wat5 0.05700 0.06100 0.01480 0.00090 -0.00150 0.00090
O31 0.01180 0.01380 0.01350 0.00090 0.00020 -0.00250
O32 0.01340 0.01380 0.01420 -0.00160 -0.00150 0.00080