data_global _chemical_name_mineral 'Vesignieite' loop_ _publ_author_name 'Ma Z' 'He R' 'Zhu X' _journal_name_full 'Acta Geologica Sinica' _journal_volume 4 _journal_year 1991 _journal_page_first 145 _journal_page_last 151 _publ_section_title ; Redetermination of the crystal structure of vesignieite Note: y- and z-coordinates of Ba altered ; _database_code_amcsd 0011973 _chemical_compound_source 'Chigou black shale system, Ankang county, Shaanxi Province, China' _chemical_formula_sum 'Cu3 Ba V2 O10 H2' _cell_length_a 10.270 _cell_length_b 5.911 _cell_length_c 7.711 _cell_angle_alpha 90 _cell_angle_beta 116.42 _cell_angle_gamma 90 _cell_volume 419.213 _exptl_crystal_density_diffrn 4.689 _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 0.50000 0.50000 0.00000 ? Cu2 0.25000 0.25000 0.00000 ? Ba 0.00000 0.00000 0.50000 ? V 0.08980 0.50000 0.26970 ? O2 0.48220 0.24110 0.19020 ? O3 0.22450 0.50000 0.19130 ? O4 0.33030 0.00000 0.49410 ? O1 0.20800 0.00000 0.12280 ? H1 0.28900 0.00000 0.24700 0.02039 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 0.01371 0.01522 0.01232 0.00000 0.00644 0.00000 Cu2 0.01500 0.01204 0.01232 -0.00138 0.00515 0.00083 Ba 0.01757 0.00177 0.00991 0.00000 0.00579 0.00000 V 0.03771 0.04284 0.00918 0.00000 0.00450 0.00000 O2 0.04457 0.02903 0.04397 -0.01074 0.03282 0.01758 O3 0.02271 0.03080 0.03865 0.00000 -0.00064 0.00000 O4 0.14399 0.16214 0.01788 0.00000 0.01158 0.00000 O1 0.01628 0.01752 0.01160 0.00000 0.06757 0.00000