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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/86/1008691.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_1008691
loop_
_publ_author_name
'Collomb, A'
'Muller, J'
'Argoud, R'
_publ_section_title
;
Low-temperature studies of two Y-type hexagonal ferrites: Ba Zn Fe6 O11
and Ba Co Fe6 O11
;
_journal_coden_ASTM              JMMMDC
_journal_name_full               'Journal of Magnetism and Magnetic Materials'
_journal_page_first              367
_journal_page_last               376
_journal_paper_doi               10.1016/0304-8853(94)90696-3
_journal_volume                  130
_journal_year                    1994
_chemical_formula_structural     'Ba0.96 Co0.985 Fe6.015 O11'
_chemical_formula_sum            'Ba0.96 Co0.985 Fe6.015 O11'
_chemical_name_systematic        'Barium cobalt iron(III) oxide (1/1/6/11)'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.851(1)
_cell_length_b                   5.851(1)
_cell_length_c                   43.45399(200)
_cell_volume                     1288.3
_refine_ls_R_factor_all          0.092
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_original_formula_sum        'Ba.96 Co.985 Fe6.015 O11'
_cod_database_code               1008691
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-y,-x,z
x,x-y,z
y-x,y,z
-x,-y,-z
y,y-x,-z
x-y,x,-z
y,x,-z
-x,y-x,-z
x-y,-y,-z
1/3+x,2/3+y,2/3+z
2/3+x,1/3+y,1/3+z
1/3-y,2/3+x-y,2/3+z
2/3-y,1/3+x-y,1/3+z
1/3-x+y,2/3-x,2/3+z
2/3-x+y,1/3-x,1/3+z
1/3-y,2/3-x,2/3+z
2/3-y,1/3-x,1/3+z
1/3+x,2/3+x-y,2/3+z
2/3+x,1/3+x-y,1/3+z
1/3-x+y,2/3+y,2/3+z
2/3-x+y,1/3+y,1/3+z
1/3-x,2/3-y,2/3-z
2/3-x,1/3-y,1/3-z
1/3+y,2/3-x+y,2/3-z
2/3+y,1/3-x+y,1/3-z
1/3+x-y,2/3+x,2/3-z
2/3+x-y,1/3+x,1/3-z
1/3+y,2/3+x,2/3-z
2/3+y,1/3+x,1/3-z
1/3-x,2/3-x+y,2/3-z
2/3-x,1/3-x+y,1/3-z
1/3+x-y,2/3-y,2/3-z
2/3+x-y,1/3-y,1/3-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Ba1 Ba2+ 6 c 0. 0. 0.29991(1) 0.96(2) 0 d
Fe1 Fe3+ 6 c 0. 0. 0.37641(2) 1. 0 d
Co1 Co2+ 6 c 0. 0. 0.15224(2) 0.26(1) 0 d
Fe2 Fe3+ 6 c 0. 0. 0.15224(2) 0.74 0 d
Fe3 Fe3+ 6 c 0. 0. 0.06521(2) 1. 0 d
Co2 Co2+ 3 b 0. 0. 0.5 0.09(1) 0 d
Fe4 Fe3+ 3 b 0. 0. 0.5 0.91 0 d
Co3 Co2+ 18 h 0.50398(4) 0.49602(4) 0.10959(1) 0.19(1) 0 d
Fe5 Fe3+ 18 h 0.50398(4) 0.49602(4) 0.10959(1) 0.81 0 d
Co4 Co2+ 3 a 0. 0. 0. 0.22(1) 0 d
Fe6 Fe3+ 3 a 0. 0. 0. 0.78 0 d
O1 O2- 6 c 0. 0. 0.41946(9) 1. 0 d
O2 O2- 6 c 0. 0. 0.19631(9) 1. 0 d
O3 O2- 18 h 0.15792(24) -0.15792(24) 0.02898(5) 1. 0 d
O4 O2- 18 h 0.83027(22) 0.16973(22) 0.08475(5) 1. 0 d
O5 O2- 18 h 0.17729(23) -0.17729(23) 0.13824(5) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ba2+ 2.000
Fe3+ 3.000
Co2+ 2.000
O2- -2.000
