data_global _amcsd_formula_title 'CO2' loop_ _publ_author_name 'Park J H' 'Yoo C S' 'Iota V' 'Cynn H' 'Nicol M F' 'Le Bihan T' _journal_name_full 'Physical Review' _journal_volume B68 _journal_year 2003 _journal_page_first 014107 _journal_page_last 014107 _publ_section_title ; Crystal structure of bent carbon dioxide phase IV Sample: P = 15 GPa, the authors do not think this is the correct structure ; _database_code_amcsd 0015235 _chemical_formula_sum 'C O2' _cell_length_a 4.335 _cell_length_b 4.335 _cell_length_c 6.102 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 114.670 _exptl_crystal_density_diffrn 2.549 _symmetry_space_group_name_H-M 'P 41 21 2' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,x,-z' '1/2-y,1/2+x,1/4+z' '1/2-x,1/2+y,1/4-z' '-x,-y,1/2+z' '-y,-x,1/2-z' '1/2+y,1/2-x,3/4+z' '1/2+x,1/2-y,3/4-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv C 0.46000 0.46000 0.00000 0.14600 O 0.26200 0.21800 0.26000 0.08700