#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/05/1010523.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
loop_
_publ_author_name
'Zachariasen, W H'
'Buckley, H E'
_publ_section_title
;
The Crystal Lattice of Anhydrous Sodium Sulphite,Na~2~ S O~3~
;
_journal_coden_ASTM              PHRVAO
_journal_name_full
;
Physical Review (1,1893-132,1963/141,1966-188,1969)
;
_journal_page_first              1295
_journal_page_last               1305
_journal_volume                  37
_journal_year                    1931
_chemical_formula_structural     'Na2 S O3'
_chemical_formula_sum            'Na2 O3 S'
_chemical_name_systematic        'Sodium sulfate(IV)'
_space_group_IT_number           147
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.441(4)
_cell_length_b                   5.441(4)
_cell_length_c                   6.133(7)
_cell_volume                     157.2
_cod_database_code               1010523
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Na1+ 1.000
S4+ 4.000
O2- -2.000