#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010516.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_1010516
_chemical_name_systematic          'Dinitrogen tetraoxide'
_chemical_formula_structural       'N2 O4'
_chemical_formula_sum              'N2 O4'
_publ_section_title
;
Die Struktur von festem N~2~ O~4~ bei der Temperatur von fluessiger
Luft.
;
loop_
_publ_author_name                  'Vegard, L'
_journal_name_full                 'Zeitschrift fuer Physik'
_journal_coden_ASTM                ZEPYAA
_journal_volume                    68
_journal_year                      1931
_journal_page_first                184
_journal_page_last                 203
_cell_length_a                     7.77
_cell_length_b                     7.77
_cell_length_c                     7.77
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       469.1
_cell_formula_units_Z              6
_exptl_crystal_density_meas        1.94
_symmetry_space_group_name_H-M     'I 21 3'
_symmetry_Int_Tables_number        199
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  '1/2+x,1/2-y,-z'
  '1/2+y,1/2-z,-x'
  '1/2+z,1/2-x,-y'
  '-x,1/2+y,1/2-z'
  '-y,1/2+z,1/2-x'
  '-z,1/2+x,1/2-y'
  '1/2-x,-y,1/2+z'
  '1/2-y,-z,1/2+x'
  '1/2-z,-x,1/2+y'
  '1/2+x,1/2+y,1/2+z'
  '1/2+y,1/2+z,1/2+x'
  '1/2+z,1/2+x,1/2+y'
  'x,-y,1/2-z'
  'y,-z,1/2-x'
  'z,-x,1/2-y'
  '1/2-x,y,-z'
  '1/2-y,z,-x'
  '1/2-z,x,-y'
  '-x,1/2-y,z'
  '-y,1/2-z,x'
  '-z,1/2-x,y'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  N0     0.000
  O0     0.000
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
  N1    N0    12 b 0.403 0. 0.25 1.  0 d
  O1    O0    24 c 0.178 0.25 0.403 1.  0 d
_cod_database_code 1010516