data_global _chemical_name_mineral 'Witherite' loop_ _publ_author_name 'Holl C M' 'Smyth J R' 'Laustsen H M S' 'Jacobsen S D' 'Downs R T' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 27 _journal_year 2000 _journal_page_first 467 _journal_page_last 473 _publ_section_title ; Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 7.2 GPa ; _database_code_amcsd 0008429 _chemical_formula_sum 'Ba C O3' _cell_length_a 5.258 _cell_length_b 5.258 _cell_length_c 5.64 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 135.036 _exptl_crystal_density_diffrn 4.853 _symmetry_space_group_name_H-M 'P -3 1 c' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x-y,-y,1/2+z' 'y,-x+y,-z' '-y,-x,1/2-z' '-x+y,-x,z' '-x,-x+y,1/2+z' '-x,-y,-z' '-x+y,y,1/2-z' '-y,x-y,z' 'y,x,1/2+z' 'x-y,x,-z' 'x,x-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ba 0.66667 0.33333 0.25000 C 0.00000 0.00000 0.25000 O 0.14000 0.86000 0.25000