#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1000075.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_1000075
_chemical_name_systematic          'Lithium bismuth dipalladium oxide'
_chemical_formula_structural       'Li Bi Pd2 O4'
_chemical_formula_sum              'Bi Li O4 Pd2'
_publ_section_title
;
Complex Palladium Oxides. V. Crystal Structure of Li Bi Pd~2~ O~4~: An
Example of Three Different Fourfold Coordinations of Cations
;
loop_
_publ_author_name
  'Laligant, Y'
  'Le Bail, A'
  'Ferey, G'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    81
_journal_year                      1989
_journal_page_first                58
_journal_page_last                 64
_cell_length_a                     6.9109(2)
_cell_length_b                     6.9109(2)
_cell_length_c                     4.3557(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       208.0
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 4/n m m Z'
_symmetry_Int_Tables_number        129
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,y,z'
  'x,1/2-y,z'
  '1/2-x,1/2-y,z'
  'y,x,z'
  '1/2-y,x,z'
  'y,1/2-x,z'
  '1/2-y,1/2-x,z'
  '-x,-y,-z'
  '1/2+x,-y,-z'
  '-x,1/2+y,-z'
  '1/2+x,1/2+y,-z'
  '-y,-x,-z'
  '1/2+y,-x,-z'
  '-y,1/2+x,-z'
  '1/2+y,1/2+x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Bi3+   3.000
  Pd2+   2.000
  O2-   -2.000
  Li1+   1.000
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
  Bi1   Bi3+   2 c 0.25 0.25 0.4956(5) 1.  0 d
  Pd1   Pd2+   4 d 0. 0. 0. 1.  0 d
  O1    O2-    8 i 0.25 0.9778(7) 0.235(2) 1.  0 d
  Li1   Li1+   2 b 0.75 0.25 0.5 1.  0 d
_refine_ls_R_factor_all            0.0412