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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/1/00/02/1000266.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_1000266
_chemical_name_systematic          'Lanthanum copper lithium oxide (2/.8/.3/4)'
_chemical_formula_structural       'La2 Cu0.75 Li0.25 O3.98'
_chemical_formula_sum            'Cu0.75 La2 Li0.25 O3.98'
_[local]_cod_chemical_formula_sum_orig 'Cu.75 La2 Li.25 O3.98'
_publ_section_title
;
Preparation and Crystal Structures of La~2~ Cu~1-x~ Li~x~ O~4~ Solid
Solutions and Evidence for a New Oxide with a defect K~2~ Ni F~4~
Structure: La~4~ Li~2~ O~7~
;
loop_
_publ_author_name
  'Attfield, J P'
  'Ferey, G'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    80
_journal_year                      1989
_journal_page_first                112
_journal_page_last                 119
_cell_length_a                     5.3177(1)
_cell_length_b                     5.3032(1)
_cell_length_c                     13.1218(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       370.0
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'A b m a'
_symmetry_Int_Tables_number        64
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,-z'
  '1/2+x,y,1/2-z'
  '1/2-x,y,1/2+z'
  '-x,-y,-z'
  'x,-y,z'
  '1/2-x,-y,1/2+z'
  '1/2+x,-y,1/2-z'
  'x,1/2+y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2+y,z'
  '-x,1/2-y,1/2-z'
  'x,1/2-y,1/2+z'
  '1/2-x,1/2-y,z'
  '1/2+x,1/2-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  La3+   3.000
  Cu2+   2.280
  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
  La1   La3+   8 f -0.0030(3) 0. 0.3621(1) 1.  0 d
  Cu1   Cu2+   4 a 0. 0. 0. 0.748(3)  0 d
  Li1   Li1+   4 a 0. 0. 0. 0.252(3)  0 d
  O1    O2-    8 d 0.25 0.25 -0.0025(3) 0.990(8)  0 d
  O2    O2-    8 f 0.0168(4) 0. 0.1819(1) 1.  0 d
_refine_ls_R_factor_all            0.063
_cod_database_code 1000266