data_2007414
_publ_section_title
;
Carbon Dioxide at 1.0 GPa
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              897
_journal_page_last               898
_journal_volume                  54
_journal_year                    1998
_chemical_formula_analytical     'C O2'
_chemical_formula_moiety         'C O2'
_chemical_formula_structural     'C O2'
_chemical_formula_sum            'C O2'
_chemical_formula_weight         44.01
_chemical_name_common            'C O2'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4942(2)
_cell_length_b                   5.4942(2)
_cell_length_c                   5.4942(2)
_cell_measurement_temperature    293
_cell_volume                     165.85(2)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.762
_refine_ls_R_factor_obs          .041
_refine_ls_wR_factor_obs         .018
_cod_database_code               2007414
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C 0 0 0
O .1207(3) .1207(3) .1207(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C O . . 1.1486(9) yes
