#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/10/73/2107319.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107319
loop_
_publ_author_name
'Tanaka, K.'
'Naruse, H.'
'Morikawa, H.'
'Marumo, F.'
_publ_section_title
;
 Phase-transition process of Na2 S O4(III) to Na2 S O4(I) and anharmonic
 thermal vibration
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              581
_journal_page_last               588
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Na2 O4 S'
_chemical_name_systematic        'Na2 (S O4)'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.6274
_cell_length_b                   8.9664
_cell_length_c                   6.9737
_cell_volume                     351.876
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Tanaka_ASBSDK_1991_1604.cif
_cod_data_source_block           Na2O4S1
_cod_original_cell_volume        351.8756
_cod_original_formula_sum        'Na2 O4 S1'
_cod_database_code               2107319
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Na1 Na+1 0 0 0 1 0.0
O2 O-2 0 0.2546 0.0787 1 0.0
O1 O-2 0.2142 0.4455 0.25 1 0.0
Na2 Na+1 0 0.6893 0.25 1 0.0
S1 S+6 0 0.34926 0.25 1 0.0
