#------------------------------------------------------------------------------
#$Date: 2009-11-16 03:43:51 +0200 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010596.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_1010596
_chemical_name_systematic          'Potassium bromate'
_chemical_formula_structural       'K Br O3'
_chemical_formula_sum              'Br K O3'
_publ_section_title
;
Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
Verbindungen ABO~3~
;
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_[local]_cod_cif_authors_sg_H-M  'R 3 m R'
loop_
_publ_author_name                  'Zachariasen, W H'
_journal_name_full
;
Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk-
Naturvidenskapelig Klasse
;
_journal_coden_ASTM                SUNVAQ
_journal_volume                    1928
_journal_year                      1928
_journal_page_first                1
_journal_page_last                 165
_cell_length_a                     4.403(3)
_cell_length_b                     4.403(3)
_cell_length_c                     4.403(3)
_cell_angle_alpha                  86.0(1)
_cell_angle_beta                   86.0(1)
_cell_angle_gamma                  86.0(1)
_cell_volume                       84.8
_cell_formula_units_Z              1
_exptl_crystal_density_meas        3.25
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,x,z'
  'y,z,x'
  'x,z,y'
  'z,x,y'
  'z,y,x'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  K1+    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
  K1    K1+    1 a 0. 0. 0. 1.  0 d
  Br1   Br5+   1 a 0.500(15) 0.500(15) 0.500(15) 1.  0 d
  O1    O2-    3 b 0.58(3) 0.58(3) 0.125(30) 1.  0 d