#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/11/1001175.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_1001175
_chemical_name_systematic          'Barium iron(III) tungsten nonaoxide'
_chemical_formula_structural       'Ba3 W Fe2 O9'
_chemical_formula_sum              'Ba3 Fe2 O9 W'
_publ_section_title
;
Preparation et caracteres cristallographiques de l'oxyde mixte Ba~3~
Fe~2~ W O~9~
;
loop_
_publ_author_name
  'Seveque, F'
  'Delamoye, P'
  'Poix, P'
  'Michel, A'
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie C, Sciences Chimiques (1966-)
;
_journal_coden_ASTM                CHDCAQ
_journal_volume                    269
_journal_year                      1969
_journal_page_first                1536
_journal_page_last                 1538
_cell_length_a                     5.770(2)
_cell_length_b                     5.770(2)
_cell_length_c                     14.140(15)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       407.7
_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
  W6+    6.000
  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
  Ba2   Ba2+   4 f 0.3333 0.6667 0.096 1.  0 d
  Fe1   Fe3+   2 a 0. 0. 0. 1.  0 d
  Fe2   Fe3+   4 f 0.3333 0.6667 0.848 0.5  0 d
  W1    W6+    4 f 0.3333 0.6667 0.848 0.5  0 d
  O1    O2-    6 h 0.51 0.02 0.25 1.  0 d
  O2    O2-   12 k 0.838 0.676 0.076 1.  0 d
_cod_database_code 1001175