#------------------------------------------------------------------------------
#$Date: 2009-11-16 02:43:51 +0100 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/1/1008506.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_1008506
_chemical_name_systematic
;
Barium strontium zinc iron(III) oxide (.7/.27/.83/6.16/11)
;
_chemical_formula_structural       '(Ba.7 Sr.27) Zn.83 Fe6.16 O11'
_chemical_formula_sum              'Ba.7 Fe6.16 O11 Sr.27 Zn.83'
_publ_section_title
;
Composition and structure of some (Ba~1-p~Sr~p~)Zn Fe~6~O~11~Y-type
hexagonal ferrites
;
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_[local]_cod_cif_authors_sg_H-M  'R -3 m H'
loop_
_publ_author_name
  'Muller, J'
  'Collomb, A'
  'Fournier, T'
  'Harrowfield, I'
  'Samaras, D'
_journal_name_full                 'Journal of Magnetism and Magnetic Materials'
_journal_coden_ASTM                JMMMDC
_journal_volume                    102
_journal_year                      1991
_journal_page_first                305
_journal_page_last                 313
_cell_length_a                     5.8656(1)
_cell_length_b                     5.8656(1)
_cell_length_c                     43.503(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       1296.2
_cell_formula_units_Z              6
_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
  Sr2+   2.000
  Zn2+   2.000
  Fe3+   3.000
  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. 0.29954(1) 0.70(1)  0 d
  Sr1   Sr2+   6 c 0. 0. 0.29954(1) 0.27(1)  0 d
  Zn1   Zn2+   6 c 0. 0. 0.37582(1) 0.15(1)  0 d
  Fe1   Fe3+   6 c 0. 0. 0.37582(1) 0.84(1)  0 d
  Zn2   Zn2+   6 c 0. 0. 0.15225(1) 0.68(1)  0 d
  Fe2   Fe3+   6 c 0. 0. 0.15225(1) 0.32(1)  0 d
  Fe3   Fe3+   6 c 0. 0. 0.06516(1) 1.  0 d
  Fe4   Fe3+   3 b 0. 0. 0.5 1.  0 d
  Fe5   Fe3+  18 h 0.50329(3) 0.49671(3) 0.10962(1) 1.  0 d
  Fe6   Fe3+   3 a 0. 0. 0. 1.  0 d
  O1    O2-    6 c 0. 0. 0.41918(6) 1.  0 d
  O2    O2-    6 c 0. 0. 0.19749(7) 1.  0 d
  O3    O2-   18 h 0.15701(24) -0.15701(24) 0.02906(4) 1.  0 d
  O4    O2-   18 h 0.82947(20) 0.17053(20) 0.08463(4) 1.  0 d
  O5    O2-   18 h 0.17946(20) -0.17946(20) 0.13765(4) 1.  0 d
_refine_ls_R_factor_all            0.02