#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001680.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_1001680
_chemical_name_systematic
;
Lanthanum nickel aluminium oxide (1/1/11/19)
;
_chemical_formula_structural       'La Ni Al11 O19'
_chemical_formula_sum              'Al11 La Ni O19'
_publ_section_title
;
Synthesis, crystal growth, structural determination, and optical
absorption spectroscopy of the magnetoplumbite type compound La Ni Al11
O19
;
loop_
_publ_author_name
  'Laville, F'
  'Perrin, M'
  'Lejus, A M'
  'Gasperin, M'
  'Moncorge, R'
  'Vivien, D'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    65
_journal_year                      1986
_journal_page_first                301
_journal_page_last                 308
_cell_length_a                     5.57
_cell_length_b                     5.57
_cell_length_c                     22.00999
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       591.4
_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
  O2-   -2.000
  Ni2+   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 0.76  0 d
  La2   La3+   6 h 0.7199 0.4398 0.25 0.08  0 d
  Al1   Al3+   2 a 0. 0. 0. 0.67  0 d
  Al2   Al3+   4 f 0.3333 0.6667 0.0274 0.67  0 d
  Al3   Al3+   4 f 0.3333 0.6667 0.1897 1.  0 d
  Al4   Al3+  12 k 0.8318 0.6637 0.1078 1.  0 d
  Al5   Al3+   4 e 0. 0. 0.2391 0.5  0 d
  O1    O2-    6 h 0.1815 0.3631 0.25 1.  0 d
  O2    O2-   12 k 0.154 0.3081 0.0523 1.  0 d
  O3    O2-   12 k 0.5043 0.0086 0.1502 1.  0 d
  O4    O2-    4 e 0. 0. 0.1488 1.  0 d
  O5    O2-    4 f 0.6667 0.3333 0.0562 1.  0 d
  Ni1   Ni2+   2 a 0. 0. 0. 0.33  0 d
  Ni2   Ni2+   4 f 0.3333 0.6667 0.0274 0.33  0 d
_refine_ls_R_factor_all            0.053