#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010523.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_1010523
_chemical_name_systematic          'Sodium sulfate(IV)'
_chemical_formula_structural       'Na2 S O3'
_chemical_formula_sum              'Na2 O3 S'
_publ_section_title
;
The Crystal Lattice of Anhydrous Sodium Sulphite,Na~2~ S O~3~
;
loop_
_publ_author_name
  'Zachariasen, W H'
  'Buckley, H E'
_journal_name_full
;
Physical Review (1,1893-132,1963/141,1966-188,1969)
;
_journal_coden_ASTM                PHRVAO
_journal_volume                    37
_journal_year                      1931
_journal_page_first                1295
_journal_page_last                 1305
_cell_length_a                     5.441(4)
_cell_length_b                     5.441(4)
_cell_length_c                     6.133(7)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       157.2
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P -3'
_symmetry_Int_Tables_number        147
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Na1+   1.000
  S4+    4.000
  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+   1 a 0. 0. 0. 1.  0 d
  Na2   Na1+   1 b 0. 0. 0.5 1.  0 d
  Na3   Na1+   2 d 0.3333 0.6667 0.6667 1.  0 d
  S1    S4+    2 d 0.3333 0.6667 0.1667 1.  0 d
  O1    O2-    6 g 0.139 0.403 0.25 1.  0 d