#------------------------------------------------------------------------------
#$Date: 2023-04-20 08:45:28 +0200 (jue 20 de abr de 2023) $
#$Revision: 282761 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/10/1011029.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_1011029
loop_
_publ_author_name
'Elliott, N'
_publ_section_title
;
A Redetermination of the Carbon - Oxygen Distance in Calcite and the
Nitrogen - Oxygen Distance in Sodium Nitrate
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1380
_journal_page_last               1382
_journal_volume                  59
_journal_year                    1937
_chemical_compound_source        synthetic
_chemical_formula_structural     'Na (N O3)'
_chemical_formula_sum            'N Na O3'
_chemical_name_mineral           Nitratine
_chemical_name_systematic        'Sodium nitrate'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      167
_symmetry_space_group_name_H-M   'R -3 c :R'
_symmetry_space_group_name_Hall  '-P 3* 2n'
_cell_angle_alpha                47.25
_cell_angle_beta                 47.25
_cell_angle_gamma                47.25
_cell_formula_units_Z            2
_cell_length_a                   6.32
_cell_length_b                   6.32
_cell_length_c                   6.32
_cell_volume                     124.5
_exptl_crystal_density_meas      2.26
_cod_depositor_comments
;

2023-04-18
Space group name changed to comply with IUCR recomendations
                 miguel
;
_cod_original_sg_symbol_H-M   'R -3 c RS'
_cod_database_code               1011029
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y,-x,-z
-x,-z,-y
-z,-y,-x
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
1/2+y,1/2+x,1/2+z
1/2+x,1/2+z,1/2+y
1/2+z,1/2+y,1/2+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+ 2 b 0.25 0.25 0.25 1. 0 d
N1 N5+ 2 a 0. 0. 0. 1. 0 d
O1 O2- 6 e 0.2394(5) -0.2394 0. 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Na1+ 1.000
N5+ 5.000
O2- -2.000
_journal_paper_doi 10.1021/ja01286a065
