data_global _amcsd_formula_title 'CO2' loop_ _publ_author_name 'Smedt J' 'Keesom W' _journal_name_full 'Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen' _journal_volume 27 _journal_year 1924 _journal_page_first 839 _journal_page_last 846 _publ_section_title ; The structure of solid nitrous oxide and carbon dioxide _cod_database_code 1010060 ; _database_code_amcsd 0016996 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'C O2' _cell_length_a 5.63 _cell_length_b 5.63 _cell_length_c 5.63 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 178.454 _exptl_crystal_density_diffrn 1.638 _symmetry_space_group_name_H-M 'P a 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+z,x,1/2-y' 'z,1/2-x,1/2+y' '1/2-z,1/2+x,y' '-z,-x,-y' '1/2+y,1/2-z,-x' '1/2-y,-z,1/2+x' '-y,1/2+z,1/2-x' 'y,z,x' 'x,1/2-y,1/2+z' '1/2-x,1/2+y,z' '1/2+x,y,1/2-z' '-x,-y,-z' '1/2-z,-x,1/2+y' '-z,1/2+x,1/2-y' '1/2+z,1/2-x,-y' 'z,x,y' '1/2-y,1/2+z,x' '1/2+y,z,1/2-x' 'y,1/2-z,1/2+x' '-y,-z,-x' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z C 0.00000 0.00000 0.00000 O 0.10800 0.10800 0.10800