data_global _chemical_name_mineral 'Witherite' loop_ _publ_author_name 'Antao S M' 'Hassan I' _journal_name_full 'The Canadian Mineralogist' _journal_volume 47 _journal_year 2009 _journal_page_first 1245 _journal_page_last 1255 _publ_section_title ; The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3: Linear structural trends Note: HRPXRD ; _database_code_amcsd 0006305 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ba C O3' _cell_length_a 5.31459 _cell_length_b 8.90428 _cell_length_c 6.43409 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 304.478 _exptl_crystal_density_diffrn 4.305 _symmetry_space_group_name_H-M 'P m c n' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,y,z' '1/2+x,-y,-z' '1/2+x,1/2+y,1/2-z' '1/2-x,1/2-y,1/2+z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ba 0.25000 0.41639 0.75436 0.00906 C 0.25000 0.75560 -0.07830 0.00906 O1 0.25000 0.90110 -0.08940 0.00906 O2 0.46010 0.68320 -0.08200 0.00906