#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/60/1006046.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_1006046
_chemical_name_systematic          'Dilanthanum lithium antimony(V) oxide'
_chemical_formula_structural       'La2 Li Sb O6'
_chemical_formula_sum              'La2 Li O6 Sb'
_publ_section_title
;
The monoclinic perovskite La~2~LiSbO~6~. A Rietveld refinement of
neutron powder diffraction data
;
loop_
_publ_author_name
  'Lopez, M L'
  'Veiga, M L'
  'Rodriguez-Carvajal, J'
  'Fernandez, F'
  'Jerez, A'
  'Pico, C'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    27
_journal_year                      1992
_journal_page_first                647
_journal_page_last                 654
_cell_length_a                     5.6226(1)
_cell_length_b                     5.7199(1)
_cell_length_c                     7.9689(2)
_cell_angle_alpha                  90
_cell_angle_beta                   89.796(9)
_cell_angle_gamma                  90
_cell_volume                       256.3
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 1 21/n 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  La3+   3.000
  Li1+   1.000
  Sb5+   5.000
  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+   4 a 0.5101(3) 0.5442(2) 0.2535(3) 1.  0 d
  Li1   Li1+   2 c 0. 0.5 0. 1.  0 d
  Sb1   Sb5+   2 d 0.5 0. 0. 1.  0 d
  O1    O2-    4 e 0.2133(5) 0.1949(5) -0.0420(4) 1.  0 d
  O2    O2-    4 e 0.3005(5) 0.7179(4) -0.0456(4) 1.  0 d
  O3    O2-    4 e 0.4132(4) 0.9781(3) 0.2394(4) 1.  0 d
_refine_ls_R_factor_all            0.033
_cod_database_code 1006046