#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008838.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_1008838
_chemical_name_systematic          'Iron(III) gallium oxide (1.15/.85/3)'
_chemical_formula_structural       'Fe1.15 Ga.85 O3'
_chemical_formula_sum              'Fe1.15 Ga.85 O3'
_publ_section_title
;
Etude par effet Moessbauer, rayons X, diffraction neutronique et
mesures magnetiques de Fe1.15 Ga.85 O3
;
loop_
_publ_author_name
  'Bertaut, E F'
  'Bassi, G'
  'Buisson, G'
  'Chappert, J'
  'Delapalme, A'
  'Pauthenet, R'
  'Rebouillat, H P'
  'Aleonard, R'
_journal_name_full                 'Journal de Physique (Paris)'
_journal_coden_ASTM                JOPQAG
_journal_volume                    27
_journal_year                      1966
_journal_page_first                433
_journal_page_last                 448
_cell_length_a                     8.75
_cell_length_b                     9.4
_cell_length_c                     5.07
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       417.0
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'P c 21 n'
_symmetry_Int_Tables_number        33
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  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
  Fe1   Fe3+   4 a -0.035(6) 0.124 0.670(15) 0.9  0 d
  Fe2   Fe3+   4 a -0.157(6) 0.327 0.180(15) 0.87  0 d
  Fe3   Fe3+   4 a 0.161(3) 0.100(3) 0.18(1) 0.54  0 d
  Ga1   Ga3+   4 a 0.161(3) 0.100(3) 0.18(1) 0.46  0 d
  Ga2   Ga3+   4 a -0.150(3) -0.086(3) 0.17(1) 1.  0 d
  Ga3   Ga3+   4 a -0.035(6) 0.124 0.670(15) 0.1  0 d
  Ga4   Ga3+   4 a -0.157(6) 0.327 0.180(15) 0.13  0 d
  O1    O2-    4 a 0.061(20) -0.02(2) 0.01(4) 1.  0 d
  O2    O2-    4 a 0.18(2) .00(2) 0.52(4) 1.  0 d
  O3    O2-    4 a 0.17(2) 0.49(2) 0.50(4) 1.  0 d
  O4    O2-    4 a .00(2) 0.23(2) 0.35(4) 1.  0 d
  O5    O2-    4 a 0.16(2) 0.20(2) -0.17(4) 1.  0 d
  O6    O2-    4 a 0.19(2) 0.78(2) 0.14(4) 1.  0 d
_refine_ls_R_factor_all            0.05