#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (jue 18 de feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/05/1010596.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
loop_
_publ_author_name
'Zachariasen, W H'
_publ_section_title
;
Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
Verbindungen ABO₃
;
_journal_coden_ASTM              SUNVAQ
_journal_name_full
;
Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk-
Naturvidenskapelig Klasse
;
_journal_page_first              1
_journal_page_last               165
_journal_volume                  1928
_journal_year                    1928
_chemical_formula_structural     'K Br O3'
_chemical_formula_sum            'Br K O3'
_chemical_name_systematic        'Potassium bromate'
_space_group_IT_number           160
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_cell_angle_alpha                86.0(1)
_cell_angle_beta                 86.0(1)
_cell_angle_gamma                86.0(1)
_cell_formula_units_Z            1
_cell_length_a                   4.403(3)
_cell_length_b                   4.403(3)
_cell_length_c                   4.403(3)
_cell_volume                     84.8
_exptl_crystal_density_meas      3.25
_cod_original_sg_symbol_H-M      'R 3 m R'
_cod_database_code               1010596
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
K1+ 1.000
Br5+ 5.000
O2- -2.000
