#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/11/1001181.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_1001181
_chemical_name_systematic          'Tetralanthanum dibarium dizinc oxide'
_chemical_formula_structural       'La4 Ba2 Zn2 O10'
_chemical_formula_sum              'Ba2 La4 O10 Zn2'
_publ_section_title
;
Une nouvelle famille structurale: Les Oxydes Ln~4-2x~ Ba~2+2x~ Zn~2-x~
O~10-2x~ (Ln = La, Nd)
;
loop_
_publ_author_name
  'Michel, C'
  'Er-Rakho, L'
  'Raveau, B'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    42
_journal_year                      1982
_journal_page_first                176
_journal_page_last                 182
_cell_length_a                     6.914(1)
_cell_length_b                     6.914(1)
_cell_length_c                     11.594(7)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       554.2
_cell_formula_units_Z              2
_exptl_crystal_density_meas        6.66
_symmetry_space_group_name_H-M     'I 4/m c m'
_symmetry_Int_Tables_number        140
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  'x,-y,1/2+z'
  '-x,y,1/2+z'
  '-y,x,z'
  'y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2+z'
  '-x,-y,-z'
  'x,y,-z'
  '-x,y,1/2-z'
  'x,-y,1/2-z'
  'y,-x,-z'
  '-y,x,-z'
  '-y,-x,1/2-z'
  'y,x,1/2-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+y,1/2-x,1/2+z'
  '1/2+y,1/2+x,z'
  '1/2-y,1/2-x,z'
  '1/2-x,1/2-y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2-y,-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2-y,1/2-x,-z'
  '1/2+y,1/2+x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  La3+   3.000
  Ba2+   2.000
  Zn2+   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+   4 a 0. 0. 0.25 0.5  0 d
  Ba1   Ba2+   4 a 0. 0. 0.25 0.5  0 d
  La2   La3+   8 h 0.1744(4) 0.6744(4) 0. 0.75  0 d
  Ba2   Ba2+   8 h 0.1744(4) 0.6744(4) 0. 0.25  0 d
  Zn1   Zn2+   4 b 0. 0.5 0.25 1.  0 d
  O1    O2-    4 c 0. 0. 0. 1.  0 d
  O2    O2-   16 l 0.351(4) 0.851(4) 0.135(2) 1.  0 d
_refine_ls_R_factor_all            0.067
_cod_database_code 1001181