#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/1/1008166.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_1008166
_chemical_name_systematic          'Lithium aluminium oxide - $-gamma'
_chemical_formula_structural       'Al Li O2'
_chemical_formula_sum              'Al Li O2'
_publ_section_title                'Structure de $-gamma-Li Al O~2~'
loop_
_publ_author_name
  'Bertaut, E F'
  'Delapalme, A'
  'Bassi, G'
  'Durif-Varambon, A'
  'Joubert, J C'
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie
(72,1949-100,1977)
;
_journal_coden_ASTM                BUFCAE
_journal_volume                    88
_journal_year                      1965
_journal_page_first                103
_journal_page_last                 108
_cell_length_a                     5.17
_cell_length_b                     5.17
_cell_length_c                     6.295
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       168.3
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 41 21 2'
_symmetry_Int_Tables_number        92
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,1/2+z'
  '1/2-y,1/2+x,1/4+z'
  '1/2+y,1/2-x,3/4+z'
  'y,x,-z'
  '-y,-x,1/2-z'
  '1/2-x,1/2+y,1/4-z'
  '1/2+x,1/2-y,3/4-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Al3+   3.000
  Li1+   1.000
  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
  Al1   Al3+   4 a 0.176(29) 0.176(29) 0. 1.  0 d
  Li1   Li1+   4 a -0.189(95) -0.189(95) 0. 1.  0 d
  O1    O2-    8 b 0.211(33) -0.165(37) 0.022(20) 1.  0 d
_refine_ls_R_factor_all            0.053
_cod_database_code 1008166