#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/1/1008434.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_1008434
_chemical_name_systematic          'Barium cobalt hexairon(III) oxide'
_chemical_formula_structural       'Ba Co Fe6 O11'
_chemical_formula_sum              'Ba Co Fe6 O11'
_publ_section_title
;
Cobalt Location in the Y-Type Hexagonal Ferrite : Ba Co Fe~6~ O~11~
;
loop_
_publ_author_name
  'Collomb, A'
  'Hadj=Farhat, M A'
  'Joubert, J C'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    24
_journal_year                      1989
_journal_page_first                453
_journal_page_last                 458
_cell_length_a                     5.894(1)
_cell_length_b                     5.894(1)
_cell_length_c                     43.742(6)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       1316.0
_cell_formula_units_Z              6
_symmetry_space_group_name_H-M     'R -3 m H'
_symmetry_Int_Tables_number        166
_symmetry_cell_setting             trigonal
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_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  Fe3+   3.000
  Co2+   2.000
  O2-   -2.000
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. 0.2993(6) 1.  0 d
  Fe1   Fe3+   6 c 0. 0. 0.3776(3) 1.  0 d
  Co1   Co2+   6 c 0. 0. 0.1510(5) 0.27(2)  0 d
  Fe2   Fe3+   6 c 0. 0. 0.1510(5) 0.73(2)  0 d
  Fe3   Fe3+   6 c 0. 0. 0.0651(3) 1.  0 d
  Co2   Co2+   3 b 0. 0. 0.5 0.09(4)  0 d
  Fe4   Fe3+   3 b 0. 0. 0.5 0.91(4)  0 d
  Co3   Co2+  18 h 0.5022(9) -0.5022(9) 0.1092(2) 0.20(2)  0 d
  Fe5   Fe3+  18 h 0.5022(9) -0.5022(9) 0.1092(2) 0.80(2)  0 d
  Co4   Co2+   3 a 0. 0. 0. 0.18(3)  0 d
  Fe6   Fe3+   3 a 0. 0. 0. 0.82(3)  0 d
  O1    O2-    6 c 0. 0. 0.4203(4) 1.  0 d
  O2    O2-    6 c 0. 0. 0.1962(6) 1.  0 d
  O3    O2-   18 h 0.1564(19) -0.1564(19) 0.0288(3) 1.  0 d
  O4    O2-   18 h 0.8284(10) -0.8284(10) 0.0852(3) 1.  0 d
  O5    O2-   18 h 0.1794(16) -0.1794(16) 0.1378(2) 1.  0 d
_refine_ls_R_factor_all            0.035