#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/21/1522105.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_1522105
loop_
_publ_author_name
'Vente, J.F.'
'Battle, P.D.'
_publ_section_title
;
 Structural chemistry and electronic properties of the hexagonal
 perovskites Ba Ir1-x Cox O3-d (x = 0.5, 0.7, 0.8)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              361
_journal_page_last               373
_journal_volume                  152
_journal_year                    2000
_chemical_formula_sum            'Ba Co0.5 Ir0.5 O3'
_chemical_name_systematic        'Ba Ir0.5 Co0.5 O3'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.786
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.8359
_cell_length_b                   5.7299
_cell_length_c                   10.0421
_cell_volume                     532.548
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Vente_JSSCBI_2000_1895.cif
_cod_data_source_block           Ba1Co0.5Ir0.5O3
_cod_original_cell_volume        532.5477
_cod_original_formula_sum        'Ba1 Co0.5 Ir0.5 O3'
_cod_database_code               1522105
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-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
O2 O-2 -0.0484 0.75 0.1228 1 0.0
O3 O-2 0.3927 0 0.6317 1 0.0
O4 O-2 0.1987 0 0.119 1 0.0
Ir1 Ir+5 0.5 0 0.5 0.108 0.0
Ir2 Ir+5 0.4055 0 0.2307 0.946 0.0
Co2 Co+3 0.4055 0 0.2307 0.054 0.0
Ba1 Ba+2 0.7147 0 0.1347 1 0.0
O1 O-2 0.1211 0.7284 0.627 1 0.0
Co1 Co+3 0.5 0 0.5 0.892 0.0
Ba2 Ba+2 0.8767 0 0.6155 1 0.0
Co3 Co+3 0 0 0 1 0.0
