#------------------------------------------------------------------------------
#$Date: 2010-03-31 14:32:11 +0100 (Wed, 31 Mar 2010) $
#$Revision: 1063 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002313.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_2002313
_chemical_name_systematic          'Dibismuth digallium diiron(III) oxide'
_chemical_formula_structural       'Bi2 Ga2 Fe2 O9'
_chemical_formula_sum              'Bi2 Fe2 Ga2 O9'
_publ_section_title
;
Zur Besetzung von Oktaeder- und Tetraederpositionen in Bi2 Ga2 Fe2 O9
;
loop_
_publ_author_name
  'Mueller-Buschbaum, Hk'
  'Chales de Beaulieu, D'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (33,1978-41,1986)
;
_journal_volume                    33
_journal_year                      1978
_journal_page_first                669
_journal_page_last                 670
_cell_length_a                     7.959
_cell_length_b                     8.431
_cell_length_c                     5.986
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       401.7
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P b a m'
_symmetry_Int_Tables_number        55
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  'x,y,-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Bi3+   3.000
  Fe3+   3.000
  Ga3+   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
  Bi1   Bi3+   4 g 0.174 0.326 0. 1.  0 d
  Fe1   Fe3+   4 e 0. 0. 0.256 1.  0 d
  Ga1   Ga3+   4 h 0.357 0.161 0.5 1.  0 d
  O1    O2-    4 g 0.152 0.084 0. 1.  0 d
  O2    O2-    4 h 0.137 0.102 0.5 1.  0 d
  O3    O2-    8 i 0.38 0.302 0.247 1.  0 d
  O4    O2-    2 d 0. 0.5 0.5 1.  0 d
_refine_ls_R_factor_all            0.1
_cod_database_code 2002313