#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001416.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_1001416
_chemical_name_systematic          'Lanthanum iron aluminium oxide (1/1/11/19)'
_chemical_formula_structural       'La0.96 Fe Al11 O19'
_chemical_formula_sum              'Al11 Fe La.96 O19'
_publ_section_title
;
Structural and Spectroscopic Investigations of La Fe Al~11~ O~19~
Compounds
;
loop_
_publ_author_name
  'Tronc, E'
  'Laville, F'
  'Gasperin, M'
  'Lejus, A M'
  'Vivien, D'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    81
_journal_year                      1989
_journal_page_first                192
_journal_page_last                 202
_cell_length_a                     5.586(3)
_cell_length_b                     5.586(3)
_cell_length_c                     22.017(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       595.0
_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
  La3+   3.000
  Al3+   3.000
  Fe2+   2.000
  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
  La1   La3+   2 d 0.6667 0.3333 0.25 0.83  0 d
  La2   La3+   6 h 0.7241(6) 0.4481(6) 0.25 0.045  0 d
  Al1   Al3+   2 a 0. 0. 0. 0.95  0 d
  Fe1   Fe2+   2 a 0. 0. 0. 0.05  0 d
  Al2   Al3+   4 f 0.3333 0.6667 0.0275(1) 0.75  0 d
  Fe2   Fe2+   4 f 0.3333 0.6667 0.0275(1) 0.25  0 d
  Al3   Al3+   4 f 0.3333 0.6667 0.1898(1) 0.92  0 d
  Fe3   Fe2+   4 f 0.3333 0.6667 0.1898(1) 0.08  0 d
  Al4   Al3+  12 k 0.8322(1) 0.6643(1) 0.1082(1) 0.95  0 d
  Fe4   Fe2+  12 k 0.8322(1) 0.6643(1) 0.1082(1) 0.05  0 d
  Al5   Al3+   4 e 0. 0. 0.2404(1) 0.5  0 d
  O1    O2-    6 h 0.1819(4) 0.3638(4) 0.25 1.  0 d
  O2    O2-   12 k 0.1527(2) 0.3053(2) 0.0529(1) 1.  0 d
  O3    O2-   12 k 0.5044(2) 0.0087(2) 0.1504(1) 1.  0 d
  O4    O2-    4 e 0. 0. 0.1497(2) 1.  0 d
  O5    O2-    4 f 0.6667 0.3333 0.0576(2) 1.  0 d
_refine_ls_R_factor_all            0.07