#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008764.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_1008764
_chemical_name_systematic          'Barium magnesium iron oxide (1/2/16/27)'
_chemical_formula_structural       'Ba Mg2 Fe16 O27'
_chemical_formula_sum              'Ba Fe16 Mg2 O27'
_publ_section_title
;
Crystal structure and magnesium location in the W-type hexagonal
ferrite: (Ba) Mg2 - W.
;
loop_
_publ_author_name
  'Collomb, A'
  'Abdelkader, O'
  'Wolfers, P'
  'Guitel, J C'
  'Samaras, D'
_journal_name_full                 'Journal of Magnetism and Magnetic Materials'
_journal_coden_ASTM                JMMMDC
_journal_volume                    58
_journal_year                      1986
_journal_page_first                247
_journal_page_last                 253
_cell_length_a                     5.9060(7)
_cell_length_b                     5.9060(7)
_cell_length_c                     32.91499(700)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       994.3
_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
  Mg2+   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+   2 b 0. 0. 0.25 1.  0 d
  Mg1   Mg2+   4 f 0.3333 0.6667 -0.2447(1) 0.041(17)  0 d
  Fe1   Fe3+   4 f 0.3333 0.6667 -0.2447(1) 0.459(17)  0 d
  Mg2   Mg2+   4 f 0.3333 0.6667 -0.42589(4) 0.120(9)  0 d
  Fe2   Fe3+   4 f 0.3333 0.6667 -0.42589(4) 0.880(9)  0 d
  Mg3   Mg2+   6 g 0.5 0. 0. 0.379(8)  0 d
  Fe3   Fe3+   6 g 0.5 0. 0. 0.621(8)  0 d
  Mg4   Mg2+   4 e 0. 0. 0.05573(4) 0.16(1)  0 d
  Fe4   Fe3+   4 e 0. 0. 0.05573(4) 0.84(1)  0 d
  Mg5   Mg2+   4 f 0.3333 0.6667 0.09275(4) 0.101(9)  0 d
  Fe5   Fe3+   4 f 0.3333 0.6667 0.09275(4) 0.899(9)  0 d
  Fe6   Fe3+   4 f 0.3333 0.6667 0.20794(4) 1.  0 d
  Fe7   Fe3+  12 k -0.16450(8) -0.32900(8) 0.15024(2) 1.  0 d
  O1    O2-    4 e 0. 0. 0.11284(19) 1.  0 d
  O2    O2-    4 f 0.3333 0.6667 0.03493(18) 1.  0 d
  O3    O2-    4 f 0.3333 0.6667 -0.32026(17) 1.  0 d
  O4    O2-    6 h 0.4852(8) 0.9704(8) 0.25 1.  0 d
  O5    O2-   12 k 0.5117(5) 0.0234(7) 0.11041(11) 1.  0 d
  O6    O2-   12 k -0.1769(4) -0.3538(4) 0.03612(12) 1.  0 d
  O7    O2-   12 k 0.1629(5) 0.3258(5) 0.17928(11) 1.  0 d
_refine_ls_R_factor_all            0.0215
_cod_database_code 1008764