#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/07/1530717.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_1530717
loop_
_publ_author_name
'Schaller, H.U.'
'Kemmler-Sack, S.'
'Ehmann, A.'
_publ_section_title
;
 System Ba Ir1-x Cox O3-y
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              299
_journal_page_last               315
_journal_volume                  97
_journal_year                    1984
_chemical_formula_sum            'Ba Co0.7 Ir0.3 O3'
_chemical_name_systematic        'Ba (Ir0.3 Co0.7) O3'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            10
_cell_length_a                   5.702
_cell_length_b                   5.702
_cell_length_c                   23.79
_cell_volume                     669.853
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Schaller_JCOMAH_1984_995.cif
_cod_data_source_block           Ba1Co0.7Ir0.3O3
_cod_original_formula_sum        'Ba1 Co0.7 Ir0.3 O3'
_cod_database_code               1530717
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,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
O1 O-2 0.5 0 0.25 1 0.0
Co1 Co+4 0 0 0 0.4 0.0
Ba1 Ba+2 0 0 0.25 1 0.0
Ir1 Ir+4 0 0 0 0.6 0.0
Co2 Co+4 0.3333 0.6667 0.691 0.8 0.0
O3 O-2 0.1667 -0.1667 0.05 1 0.0
O2 O-2 0.8333 0.1667 0.15 1 0.0
Co3 Co+4 0 0 0.108 0.75 0.0
Ba3 Ba+2 0.3333 0.6667 0.545 1 0.0
Ir2 Ir+4 0.3333 0.6667 0.691 0.2 0.0
Ba2 Ba+2 0.3333 0.6667 0.141 1 0.0
Ir3 Ir+4 0 0 0.108 0.25 0.0
