#------------------------------------------------------------------------------
#$Date: 2018-07-07 04:59:37 +0300 (Sat, 07 Jul 2018) $
#$Revision: 208902 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/03/1010310.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_1010310
loop_
_publ_author_name
'Bassiere, M'
_publ_section_title              'Sur la structure de l'isocyanate de sodium.'
_journal_coden_ASTM              COREAF
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_page_first              1309
_journal_page_last               1311
_journal_volume                  206
_journal_year                    1938
_chemical_formula_structural     'Na O C N'
_chemical_formula_sum            'C N Na O'
_chemical_name_systematic        'Sodium isocyanate'
_space_group_IT_number           160
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_cell_angle_alpha                38.37(7)
_cell_angle_beta                 38.37(7)
_cell_angle_gamma                38.37(7)
_cell_formula_units_Z            1
_cell_length_a                   5.44(1)
_cell_length_b                   5.44(1)
_cell_length_c                   5.44(1)
_cell_volume                     55.7
_exptl_crystal_density_meas      1.88
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from 'N Na O'
 to 'C N Na O'.

 Antanas Vaitkus,
 2018-07-07
;
_cod_original_sg_symbol_H-M      'R 3 m R'
_cod_database_code               1010310
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,x,z
y,z,x
x,z,y
z,x,y
z,y,x
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
Na1 Na1+ 1 a 0.5 0.5 0.5 1. 0 d
O1 O2- 1 a -0.08 -0.08 -0.08 1. 0 d
C1 C4+ 1 a -0.005 -0.005 -0.005 1. 0 d
N1 N3- 1 a 0.075 0.075 0.075 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Na1+ 1.000
O2- -2.000
C4+ 4.000
N3- -3.000
