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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/1/00/14/1001462.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_1001462
_chemical_name_systematic
;
Lanthanum gadolinium magnesium aluminium oxide (.4/.5/.6/11/18.5)
;
_chemical_formula_structural       'La.43 Gd.46 Mg.635 Al11 O18.46'
_chemical_formula_sum            'Al11 Gd0.46 La0.43 Mg0.635 O18.46'
_[local]_cod_chemical_formula_sum_orig 'Al11 Gd.46 La.43 Mg.635 O18.46'
_publ_section_title
;
The sites of Gd^3+^ in the luminescent matrix La~1-
x~Gd~x~MgAl~11~O~19~: single crystal structure determination and site-
selective excitation of Gd^3+^
;
loop_
_publ_author_name
  'Salem, Y'
  'Linares, C'
  'Jacquier, B'
  'Saine, M C'
  'Gasperin, M'
  'Lejus, A M'
  'Vivien, D'
_journal_name_full                 'Journal of Chemical Physics'
_journal_coden_ASTM                JCPSA6
_journal_volume                    93
_journal_year                      1990
_journal_page_first                7076
_journal_page_last                 7084
_journal_issue                     10
_cell_length_a                     5.565(3)
_cell_length_b                     5.565(3)
_cell_length_c                     21.89(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       587.1
_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
  Gd3+   3.000
  Al3+   3.000
  Mg2+   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 0.43  0 d
  Gd1   Gd3+  12 j 0.6727(5) 0.3755(3) 0.25 0.077  0 d
  Al1   Al3+   2 a 0. 0. 0. 0.917  0 d
  Mg1   Mg2+   2 a 0. 0. 0. 0.053  0 d
  Al2   Al3+   4 f 0.3333 0.6667 0.0273(1) 0.917  0 d
  Mg2   Mg2+   4 f 0.3333 0.6667 0.0273(1) 0.053  0 d
  Al3   Al3+   4 f 0.3333 0.6667 0.1901(1) 0.917  0 d
  Mg3   Mg2+   4 f 0.3333 0.6667 0.1901(1) 0.053  0 d
  Al4   Al3+  12 k 0.8322(1) 0.6644(2) 0.1085(1) 0.917  0 d
  Mg4   Mg2+  12 k 0.8322(1) 0.6644(2) 0.1085(1) 0.053  0 d
  Al5   Al3+   4 e 0. 0. 0.2419(1) 0.458  0 d
  Mg5   Mg2+   4 e 0. 0. 0.2419(1) 0.026  0 d
  O1    O2-   12 j 0.1994(8) 0.3632(6) 0.25 0.47  0 d
  O2    O2-   12 k 0.1532(2) 0.3064(4) 0.0533(1) 1.  0 d
  O3    O2-   12 k 0.5053(2) 0.0106(4) 0.1515(1) 0.94  0 d
  O4    O2-    4 e 0. 0. 0.1511(2) 1.  0 d
  O5    O2-    4 f 0.6667 0.3333 0.0578(2) 1.  0 d
_refine_ls_R_factor_all            0.079
_cod_database_code 1001462