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#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/80/1008088.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_1008088
_chemical_name_systematic          'BARIUM DILANTHANUM DIIRON(III) OXIDE'
_chemical_formula_structural       'BA LA2 FE2 O7'
_chemical_formula_sum              'Ba Fe2 La2 O7'
_publ_section_title
;
Determination des structures de deux ferrite mixtes nouveaux de formule
Ba La~2~ Fe~2~ O~7~ et Sr Tb~2~ Fe~2~ O~7~
;
loop_
_publ_author_name
  'Samaras, D'
  'Collomb, A'
  'Joubert, J C'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    7
_journal_year                      1973
_journal_page_first                337
_journal_page_last                 348
_cell_length_a                     3.9335
_cell_length_b                     3.9335
_cell_length_c                     20.853
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       322.6
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'I 4/m m m'
_symmetry_Int_Tables_number        139
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,z'
  'x,-y,z'
  '-y,x,z'
  'y,-x,z'
  'y,x,z'
  '-y,-x,z'
  '-x,-y,-z'
  'x,y,-z'
  'x,-y,-z'
  '-x,y,-z'
  'y,-x,-z'
  '-y,x,-z'
  '-y,-x,-z'
  'y,x,-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+y,1/2-x,1/2+z'
  '1/2+y,1/2+x,1/2+z'
  '1/2-y,1/2-x,1/2+z'
  '1/2-x,1/2-y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2+x,1/2-y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2-y,1/2-x,1/2-z'
  '1/2+y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  La3+   3.000
  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. 0.5 0.333  0 d
  Ba2   Ba2+   4 e 0. 0. 0.3181(3) 0.333  0 d
  La1   La3+   2 b 0. 0. 0.5 0.667  0 d
  La2   La3+   4 e 0. 0. 0.3181(3) 0.667  0 d
  Fe1   Fe3+   4 e 0. 0. 0.0967(1) 1.  0 d
  O1    O2-    2 a 0. 0. 0. 1.  0 d
  O2    O2-    8 g 0. 0.5 0.107(5) 1.  0 d
  O3    O2-    4 e 0. 0. 0.204(4) 1.  0 d
_refine_ls_R_factor_all            0.039
_cod_database_code 1008088