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: X-ray data on a synthetic sample ; _database_code_amcsd 0013678 _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 _exptl_crystal_density_diffrn 3.520 _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 0.00874 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