#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/37/8103724.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_8103724
loop_
_publ_author_name
'Boehm, H.'
_publ_section_title
;
 X-ray structure determination of the modulated phase of Na N O2
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (145,1977-148,1979)
;
_journal_page_first              207
_journal_page_last               220
_journal_volume                  148
_journal_year                    1978
_chemical_formula_sum            'N Na O2'
_chemical_name_systematic        'Na N O2'
_space_group_IT_number           44
_symmetry_space_group_name_Hall  'I -2 -2'
_symmetry_space_group_name_H-M   'I m 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.665
_cell_length_b                   5.67
_cell_length_c                   5.358
_cell_volume                     111.342
_citation_journal_id_ASTM        ZKKKAJ
_cod_data_source_file            Boehm_ZKKKAJ_1978_357.cif
_cod_data_source_block           N1Na1O2
_cod_original_cell_volume        111.3422
_cod_original_sg_symbol_Hall     'I 2 -2 (y,z,x)'
_cod_original_formula_sum        'N1 Na1 O2'
_cod_database_code               8103724
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
x,y,-z
-x,y,z
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
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O1 O-2 0 -0.034 0.196 1 0.0
N1 N+3 0 0.078 0 1 0.0
Na1 Na+1 0 0.541 0 1 0.0
