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#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/83/1008346.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_1008346
_chemical_name_systematic          'Barium cobalt iron oxide (1/1.883/16/27)'
_chemical_formula_structural       'Ba Co1.883 Fe16.12 O27'
_chemical_formula_analytical       'Ba Co2 Fe16 O27'
_chemical_formula_sum              'Ba Co1.883 Fe16.12 O27'
_publ_section_title
;
Crystal structure and Cobalt location in the W-type hexagonal ferrite
(Ba) Co~2~-W.
;
loop_
_publ_author_name
  'Collomb, A'
  'Lambert Andron, B'
  'Boucherle, J X'
  'Samaras, D'
_journal_name_full
;
Physica Status Solidi, Sectio A: Applied Research
;
_journal_coden_ASTM                PSSABA
_journal_volume                    96
_journal_year                      1986
_journal_page_first                385
_journal_page_last                 395
_cell_length_a                     5.9043(7)
_cell_length_b                     5.9043(7)
_cell_length_c                     32.910(7)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       993.6
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 63/m m c'
_symmetry_Int_Tables_number        194
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'y-x,y,z'
  'x,x-y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  'x-y,-y,-z'
  '-x,y-x,-z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
  'y,x,1/2+z'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
  'x,y,1/2-z'
  '-y,x-y,1/2-z'
  'y-x,-x,1/2-z'
  '-y,-x,1/2-z'
  'y-x,y,1/2-z'
  'x,x-y,1/2-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+   2 b 0. 0. 0.25 1.  0 d
  Fe1   Fe3+   4 f 0.3333 0.6667 -0.2423(2) 0.5  0 d
  Fe2   Fe3+   4 f 0.3333 0.6667 -0.4263(1) 0.88(9)  0 d
  Co1   Co2+   4 f 0.3333 0.6667 -0.4263(1) 0.12(9)  0 d
  Fe3   Fe3+   6 g 0.5 0. 0. 0.537(8)  0 d
  Co2   Co2+   6 g 0.5 0. 0. 0.463(8)  0 d
  Fe4   Fe3+   4 e 0. 0. 0.0555(1) 0.916(9)  0 d
  Co3   Co2+   4 e 0. 0. 0.0555(1) 0.084(9)  0 d
  Fe5   Fe3+   4 f 0.3333 0.6667 0.0930(1) 0.957(9)  0 d
  Co4   Co2+   4 f 0.3333 0.6667 0.0930(1) 0.043(9)  0 d
  Fe6   Fe3+   4 f 0.3333 0.6667 0.2077(1) 1.  0 d
  Fe7   Fe3+  12 k -0.1644(2) -0.3288(2) 0.15015(5) 1.  0 d
  O1    O2-    4 e 0. 0. 0.1134(2) 1.  0 d
  O2    O2-    4 f 0.3333 0.6667 0.0345(2) 1.  0 d
  O3    O2-    4 f 0.3333 0.6667 -0.3208(2) 1.  0 d
  O4    O2-    6 h 0.4871(5) 0.974(5) 0.25 1.  0 d
  O5    O2-   12 k 0.5112(4) 0.0224(4) 0.10982(9) 1.  0 d
  O6    O2-   12 k -0.1754(2) -0.3508(2) 0.03581(9) 1.  0 d
  O7    O2-   12 k 0.1646(3) 0.3292(3) 0.17901(9) 1.  0 d
_refine_ls_R_factor_all            0.039
_cod_database_code 1008346
_journal_paper_doi 10.1002/pssa.2210960203