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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/08/1520882.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_1520882
loop_
_publ_author_name
'Boulahya, K.'
'Parras, M.'
'Gonzalez-Calbet, J.M.'
'Vegas, A.'
_publ_section_title
;
 A new orthorhombic Ba8 Co7 O21 phase: polymorphism in the (Ba3 Co2
 O6)alpha (Ba3 Co3 O9)-beta system
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              77
_journal_page_last               84
_journal_volume                  151
_journal_year                    2000
_chemical_formula_sum            'Ba8 Co7 O21'
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F -2d -2d'
_symmetry_space_group_name_H-M   'F d 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.48
_cell_length_b                   19.89
_cell_length_c                   17.46
_cell_volume                     3986.768
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Boulahya_JSSCBI_2000_1886.cif
_cod_data_source_block           Ba8Co7O21
_cod_original_cell_volume        3986.767
_cod_original_sg_symbol_Hall     'F 2 -2d (y,z,x)'
_cod_database_code               1520882
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
x+1/4,y+1/4,-z+1/4
-x+3/4,y+1/4,z+3/4
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
x+3/4,y+3/4,-z+1/4
-x+5/4,y+3/4,z+3/4
x,y+1/2,z+1/2
-x,y+1/2,-z+1/2
x+1/4,y+3/4,-z+3/4
-x+3/4,y+3/4,z+5/4
x+1/2,y,z+1/2
-x+1/2,y,-z+1/2
x+3/4,y+1/4,-z+3/4
-x+5/4,y+1/4,z+5/4
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
O11 O-2 0.625 0.4375 0.125 1 0.0
O7 O-2 0.375 0.3125 0 1 0.0
O9 O-2 0.375 0.1875 0.125 1 0.0
Co2 Co+4 0 0 0.1875 1 0.0
O4 O-2 0 0.5625 0.125 1 0.0
Ba3 Ba+2 0.25 0.4375 0 1 0.0
O1 O-2 0 0.0625 0.125 1 0.0
Co3 Co+4 0 0 0.3125 1 0.0
Co1 Co+2 0 0 0 1 0.0
Ba2 Ba+2 0 0.6875 0 1 0.0
O6 O-2 0.125 0.3125 0 1 0.0
Ba5 Ba+2 0.75 0.0625 0.125 1 0.0
O2 O-2 0 0.4375 0 1 0.0
Co4 Co+4 0 0 0.4375 1 0.0
Ba4 Ba+2 0.25 0.0625 0.125 1 0.0
O10 O-2 0.125 0.4375 0.125 1 0.0
Ba1 Ba+2 0 0.1875 0 1 0.0
O3 O-2 0 0.4375 0.25 1 0.0
O8 O-2 0.125 0.1875 0.125 1 0.0
O5 O-2 0.375 0.0625 0 1 0.0
