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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/69/1526996.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_1526996
loop_
_publ_author_name
'Yamaura, K.'
'Cava, R.J.'
'Young, D.P.'
'Besnard, C.'
'Siegrist, T.'
'Liu, Y.'
'Svensson, C.'
_publ_section_title
;
 Synthesis, crystal structure and magnetic and electric properties of the
 cross-linked chain cobalt oxychloride Ba5 Co5 Cl O13
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              175
_journal_page_last               179
_journal_volume                  158
_journal_year                    2001
_chemical_formula_sum            'Ba5 Cl Co5 O13'
_chemical_name_systematic        'Ba5 Co5 Cl O13'
_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            2
_cell_length_a                   5.698
_cell_length_b                   5.698
_cell_length_c                   24.469
_cell_volume                     688.005
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Yamaura_JSSCBI_2001_1538.cif
_cod_data_source_block           Ba5Cl1Co5O13
_cod_original_cell_volume        688.0052
_cod_original_formula_sum        'Ba5 Cl1 Co5 O13'
_cod_database_code               1526996
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
Ba1 Ba+2 0 0 0.25 1 0.0
Co2 Co+3 0.3333 0.6667 0.82329 1 0.0
Cl1 Cl-1 0.3333 0.6667 0.25 1 0.0
Ba3 Ba+2 0.3333 0.6667 0.95997 1 0.0
Ba2 Ba+2 0.3333 0.6667 0.37104 1 0.0
Co3 Co+3 0 0 0 1 0.0
O1 O-2 0.839 0.161 0.3504 1 0.0
O3 O-2 0.3333 0.6667 0.75 1 0.0
O2 O-2 0.146 0.854 0.4492 1 0.0
Co1 Co+3 0 0 0.60286 1 0.0