#------------------------------------------------------------------------------
#$Date: 2012-02-28 12:14:52 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/89/1008955.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_1008955
_chemical_name_systematic          'Barium zinc iron oxide (1/1.7/16.3/27)'
_chemical_formula_structural       'Ba Zn1.73 Fe16.27 O27'
_chemical_formula_analytical       'Ba Zn2 Fe16 O27'
_chemical_formula_sum              'Ba Fe16.27 O27 Zn1.73'
_publ_section_title
;
Le zinc dans le ferrite hexagonal de type W: Ba Zn2 Fe16 O27
;
loop_
_publ_author_name
  'Collomb, A'
  'Vallet-Regi, M'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    22
_journal_year                      1987
_journal_page_first                753
_journal_page_last                 760
_cell_length_a                     5.9333(9)
_cell_length_b                     5.9333(9)
_cell_length_c                     33.116(7)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       1009.6
_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
  Zn2+   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 -0.2434(8) 0.5  0 d
  Fe2   Fe3+   4 f 0.3333 0.6667 -0.4249(3) 1.  0 d
  Fe3   Fe3+   6 g 0.5 0. 0. 1.  0 d
  Fe4   Fe3+   4 e 0. 0. 0.0571(3) 0.34  0 d
  Zn1   Zn2+   4 e 0. 0. 0.0571(34) 0.66(3)  0 d
  Fe5   Fe3+   4 f 0.3333 0.6667 0.0930(3) 0.79  0 d
  Zn2   Zn2+   4 f 0.3333 0.6667 0.0930(3) 0.21(3)  0 d
  Fe6   Fe3+   4 f 0.3333 0.6667 0.2077(3) 1.  0 d
  Fe7   Fe3+  12 k -0.1644(5) -0.3288 0.1500(1) 1.  0 d
  O1    O2-    4 e 0. 0. 0.1124(7) 1.  0 d
  O2    O2-    4 f 0.3333 0.6667 0.0363(10) 1.  0 d
  O3    O2-    4 f 0.3333 0.6667 -0.3206(10) 1.  0 d
  O4    O2-    6 h 0.4833(20) 0.9666 0.25 1.  0 d
  O5    O2-   12 k 0.5126(17) 0.0252 0.1098(3) 1.  0 d
  O6    O2-   12 k -0.1806(9) -0.3612 0.0352(4) 1.  0 d
  O7    O2-   12 k 0.1637(11) 0.3274 0.1789(4) 1.  0 d
_refine_ls_R_factor_all            0.029
_cod_database_code 1008955