#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011029.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
_chemical_name_systematic          'Sodium nitrate'
_chemical_name_mineral             'Nitratine'
_chemical_compound_source          'synthetic'
_chemical_formula_structural       'Na (N O3)'
_chemical_formula_sum              'N Na O3'
_publ_section_title
;
A Redetermination of the Carbon - Oxygen Distance in Calcite and the
Nitrogen - Oxygen Distance in Sodium Nitrate
;
loop_
_publ_author_name                  'Elliott, N'
_journal_name_full                 'Journal of the American Chemical Society'
_journal_coden_ASTM                JACSAT
_journal_volume                    59
_journal_year                      1937
_journal_page_first                1380
_journal_page_last                 1382
_cell_length_a                     6.32
_cell_length_b                     6.32
_cell_length_c                     6.32
_cell_angle_alpha                  47.25
_cell_angle_beta                   47.25
_cell_angle_gamma                  47.25
_cell_volume                       124.5
_cell_formula_units_Z              2
_exptl_crystal_density_meas        2.26
_symmetry_space_group_name_H-M     'R -3 c RS'
_symmetry_Int_Tables_number        167
_symmetry_cell_setting             trigonal
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_type_symbol
_atom_type_oxidation_number
  Na1+   1.000
  N5+    5.000
  O2-   -2.000
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
  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
_cod_database_code 1011029