#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010378.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_1010378
_chemical_name_systematic          'Sodium bromate'
_chemical_formula_structural       'Na Br O3'
_chemical_formula_sum              'Br Na O3'
_publ_section_title
;
The Crystal Structures of Sodium Chlorate and Sodium Bromate
;
loop_
_publ_author_name
  'Dickinson, R G'
  'Goodhue, E A'
_journal_name_full                 'Journal of the American Chemical Society'
_journal_coden_ASTM                JACSAT
_journal_volume                    43
_journal_year                      1921
_journal_page_first                2045
_journal_page_last                 2055
_cell_length_a                     6.71
_cell_length_b                     6.71
_cell_length_c                     6.71
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       302.1
_cell_formula_units_Z              4
_exptl_crystal_density_meas        3.3
_symmetry_space_group_name_H-M     'P 21 3'
_symmetry_Int_Tables_number        198
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  '1/2+x,1/2-y,-z'
  '1/2+y,1/2-z,-x'
  '1/2+z,1/2-x,-y'
  '-x,1/2+y,1/2-z'
  '-y,1/2+z,1/2-x'
  '-z,1/2+x,1/2-y'
  '1/2-x,-y,1/2+z'
  '1/2-y,-z,1/2+x'
  '1/2-z,-x,1/2+y'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Na1+   1.000
  Br5+   5.000
  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+   4 a 0.09 0.09 0.09 1.  0 d
  Br1   Br5+   4 a 0.41 0.41 0.41 1.  0 d
  O1    O2-   12 b 0.3 0.6 0.47 1.  0 d