data_global _chemical_name_mineral 'Baryte' loop_ _publ_author_name 'Colville A A' 'Staudhammer K' _journal_name_full 'American Mineralogist' _journal_volume 52 _journal_year 1967 _journal_page_first 1877 _journal_page_last 1880 _publ_section_title ; A refinement of the structure of barite ; _database_code_amcsd 0000164 _chemical_compound_source 'Cow Green mine, Teesdale, Durham, England' _chemical_formula_sum 'Ba S O4' _cell_length_a 8.884 _cell_length_b 5.458 _cell_length_c 7.153 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 346.841 _exptl_crystal_density_diffrn 4.470 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-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 0.18460 0.25000 0.15810 0.00861 S 0.43700 0.75000 0.19140 0.00469 O1 0.58780 0.75000 0.10620 0.01976 O2 0.31920 0.75000 0.05150 0.02064 O3 0.41860 0.97020 0.31900 0.01077