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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/45/4124538.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_4124538
loop_
_publ_author_name
'Mizoguchi, H.'
'Woodward, P.M.'
'Byeon Song-Ho'
'Parise, J.B.'
_publ_section_title
;
 Polymorphism in Na Sb O3: structure and bonding in metal oxides
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3175
_journal_page_last               3184
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'Na O3 Sb'
_chemical_name_systematic        'Na (Sb O3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.43835
_cell_length_b                   7.66195
_cell_length_c                   5.38201
_cell_volume                     224.260
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Mizoguchi_JACSAT_2004_1295.cif
_cod_data_source_block           Na1O3Sb1
_cod_original_cell_volume        224.2596
_cod_original_formula_sum        'Na1 O3 Sb1'
_cod_database_code               4124538
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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 0.532 0.25 0.511 1 0.0
O2 O-2 0.294 0.04 0.712 1 0.0
O1 O-2 0.977 0.25 0.422 1 0.0
Sb1 Sb+5 0.5 0 0 1 0.0
