#------------------------------------------------------------------------------
#$Date: 2016-11-05 12:15:35 +0200 (Sat, 05 Nov 2016) $
#$Revision: 187869 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/45/1544505.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_1544505
loop_
_publ_author_name
'Jiang, H.'
'Kumada, N.'
'Yonesaki, Y.'
'Takei, T.'
'Kinomura, N.'
_publ_section_title
;
 Hydrothermal synthesis of a new perovskite-type bismuth oxide:
 Ba0.96Bi0.86O2.59(OH)0.41
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              214
_journal_page_last               216
_journal_volume                  117
_journal_year                    2009
_chemical_formula_sum            'Ba0.96 Bi0.86 H0.41 O3'
_chemical_name_common            Ba0.96Bi0.86O2.59(OH)0.41
_space_group_IT_number           221
_space_group_name_H-M_alt        'P m -3 m'
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.2995(5)
_cell_length_b                   4.2995(5)
_cell_length_c                   4.2995(5)
_cell_volume                     79.479(16)
_cod_data_source_file            BaBiO3.cif
_cod_data_source_block           BaBiO3
_cod_original_formula_sum        'Ba0.96 Bi0.86 O3 H0.41'
_cod_database_code               1544505
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x, -y, z'
'x, y, -z'
'-x, y, -z'
'x, -y, z'
'x, -y, -z'
'-x, y, z'
'z, x, y'
'-z, -x, -y'
'z, -x, -y'
'-z, x, y'
'-z, -x, y'
'z, x, -y'
'-z, x, -y'
'z, -x, y'
'y, z, x'
'-y, -z, -x'
'-y, z, -x'
'y, -z, x'
'y, -z, -x'
'-y, z, x'
'-y, -z, x'
'y, z, -x'
'y, x, -z'
'-y, -x, z'
'-y, -x, -z'
'y, x, z'
'y, -x, z'
'-y, x, -z'
'-y, x, z'
'y, -x, -z'
'x, z, -y'
'-x, -z, y'
'-x, z, y'
'x, -z, -y'
'-x, -z, -y'
'x, z, y'
'x, -z, y'
'-x, z, -y'
'z, y, -x'
'-z, -y, x'
'z, -y, x'
'-z, y, -x'
'-z, y, x'
'z, -y, -x'
'-z, -y, -x'
'z, y, x'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Ba 0.9600 0.000000 0.000000 0.000000 Biso 1.430000 Ba
Bi 0.8600 0.500000 0.500000 0.500000 Biso 0.386000 Bi
O 1.0 0.500000 0.500000 0.000000 Biso 2.800000 O
