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#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/01/1010150.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010150
loop_
_publ_author_name
'de Smedt, J'
'Keesom, W H'
_publ_section_title
;
The structure of solid nitrous oxide and carbon dioxide
;
_journal_coden_ASTM              KNWBAA
_journal_name_full
;
Koninklijke Nederlandse Akademie van Wetenschappen, Series B: Physical
Sciences: Proceedings
;
_journal_page_first              839
_journal_page_last               846
_journal_volume                  27
_journal_year                    1924
_chemical_formula_structural     'C O2'
_chemical_formula_sum            'C O2'
_chemical_name_systematic        'Carbon oxide'
_space_group_IT_number           201
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P 2 2 3 -1n'
_symmetry_space_group_name_H-M   'P n -3 :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.63
_cell_length_b                   5.63
_cell_length_c                   5.63
_cell_volume                     178.5
_cod_original_sg_symbol_H-M      'P n -3 S'
_cod_database_code               1010150
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
-x,y,-z
-x,-y,z
y,z,x
-y,-z,x
y,-z,-x
-y,z,-x
z,x,y
-z,x,-y
-z,-x,y
z,-x,-y
1/2-x,1/2-y,1/2-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2+z
1/2+x,1/2+y,1/2-z
1/2-y,1/2-z,1/2-x
1/2+y,1/2+z,1/2-x
1/2-y,1/2+z,1/2+x
1/2+y,1/2-z,1/2+x
1/2-z,1/2-x,1/2-y
1/2+z,1/2-x,1/2+y
1/2+z,1/2+x,1/2-y
1/2-z,1/2+x,1/2+y
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
C1 C4+ 4 b 0.25 0.25 0.25 1. 0 d
O1 O2- 8 e 0.108 0.108 0.108 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
C4+ 4.000
O2- -2.000