#------------------------------------------------------------------------------
#$Date: 2018-07-07 04:59:37 +0300 (Sat, 07 Jul 2018) $
#$Revision: 208902 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/04/1010448.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_1010448
loop_
_publ_author_name
'Verweel, H J'
'Bijvoet, J M'
_publ_section_title              'Die Kristallstruktur des Na C N'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              210
_journal_page_last               207
_journal_volume                  100
_journal_year                    1938
_chemical_formula_structural     'Na C N'
_chemical_formula_sum            'C N Na'
_chemical_name_systematic        'Sodium cyanide'
_space_group_IT_number           71
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.74
_cell_length_b                   4.71
_cell_length_c                   5.61
_cell_volume                     98.8
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from 'N Na'
 to 'C N Na'.

 Antanas Vaitkus,
 2018-07-07
;
_cod_database_code               1010448
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
-x,y,-z
-x,-y,z
-x,-y,-z
-x,y,z
x,-y,z
x,y,-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,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,1/2-z
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+ 2 a 0. 0. 0. 1. 0 d
C1 C2+ 4 j 0.5 0.611 0. 0.25 0 d
C2 C2+ 4 j 0.5 0.389 0. 0.25 0 d
N1 N3- 4 j 0.5 0.611 0. 0.25 0 d
N2 N3- 4 j 0.5 0.389 0. 0.25 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Na1+ 1.000
C2+ 2.000
N3- -3.000
