#------------------------------------------------------------------------------
#$Date: 2011-05-04 09:31:26 +0300 (Wed, 04 May 2011) $
#$Revision: 18746 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010150.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
_chemical_name_systematic          'Carbon oxide'
_chemical_formula_structural       'C O2'
_chemical_formula_sum              'C O2'
_publ_section_title
;
The structure of solid nitrous oxide and carbon dioxide
;
_space_group_IT_number           201
_symmetry_space_group_name_Hall  'P 2 2 3 -1n'
_symmetry_space_group_name_H-M   'P n -3 :1'
_[local]_cod_cif_authors_sg_H-M  'P n -3 S'
loop_
_publ_author_name
  'de Smedt, J'
  'Keesom, W H'
_journal_name_full
;
Koninklijke Nederlandse Akademie van Wetenschappen, Series B: Physical
Sciences: Proceedings
;
_journal_coden_ASTM                KNWBAA
_journal_volume                    27
_journal_year                      1924
_journal_page_first                839
_journal_page_last                 846
_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                       178.5
_cell_formula_units_Z              4
_symmetry_cell_setting             cubic
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_type_symbol
_atom_type_oxidation_number
  C4+    4.000
  O2-   -2.000
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
_cod_database_code 1010150