#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/08/1530853.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_1530853
loop_
_publ_author_name
'Svensson, C.'
'Stahl, K.'
_publ_section_title
;
 The Crystal Structure of Na I O3 at 293K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              112
_journal_page_last               116
_journal_volume                  77
_journal_year                    1988
_chemical_formula_sum            'I Na O3'
_chemical_name_systematic        'Na I O3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.75
_cell_length_b                   6.3953
_cell_length_c                   8.128
_cell_volume                     298.891
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Svensson_JSSCBI_1988_1667.cif
_cod_data_source_block           I1Na1O3
_cod_original_cell_volume        298.8907
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'I1 Na1 O3'
_cod_database_code               1530853
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-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
O1 O-2 -0.28739 0.0985 0.25 1 0.0
I1 I+5 0.01137 0.0136 0.25 1 0.0
Na1 Na+1 0.5 0 0 1 0.0
O2 O-2 0.13664 0.16501 0.08384 1 0.0
