#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/1/1000111.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_1000111
_chemical_name_systematic          'Octalithium dibismuth(V) palladium oxide'
_chemical_formula_structural       'Li8 Bi2 Pd O10'
_chemical_formula_sum              'Bi2 Li8 O10 Pd'
_publ_section_title
;
Synthesis and crystal structure of Li~8~Bi~2~PdO~10~ from X-ray powder
diffraction data
;
loop_
_publ_author_name
  'Laligant, Y'
  'Le Bail, A'
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_coden_ASTM                EJSCE5
_journal_volume                    30
_journal_year                      1993
_journal_page_first                689
_journal_page_last                 698
_cell_length_a                     9.7308(2)
_cell_length_b                     4.2042(1)
_cell_length_c                     11.0656(2)
_cell_angle_alpha                  90
_cell_angle_beta                   105.781(1)
_cell_angle_gamma                  90
_cell_volume                       435.6
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'C 1 2/m 1'
_symmetry_Int_Tables_number        12
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,z'
  '-x,-y,-z'
  '-x,y,-z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2-y,-z'
  '1/2-x,1/2+y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Bi5+   5.000
  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   Bi5+   4 i 0.1819(2) 0. 0.2787(1) 1.  0 d
  Pd1   Pd2+   2 a 0. 0. 0. 1.  0 d
  O1    O2-    4 i 0.1259(1) 0. 0.4491(17) 1.  0 d
  O2    O2-    4 i 0.3179(26) 0. 0.7372(21) 1.  0 d
  O3    O2-    4 i 0.2237(20) 0. 0.0896(17) 1.  0 d
  O4    O2-    4 i 0.0392(23) 0. 0.8371(18) 1.  0 d
  O5    O2-    4 i 0.4040(24) 0. 0.3658(18) 1.  0 d
  Li1   Li1+   4 i 0.2349(52) 0.5 0.0832(44) 1.  0 d
  Li2   Li1+   4 i 0.0702(62) 0.5 0.8118(51) 1.  0 d
  Li3   Li1+   4 i 0.4195(61) 0.5 0.3870(45) 1.  0 d
  Li4   Li1+   4 i 0.1082(54) 0.5 0.4754(48) 1.  0 d
_refine_ls_R_factor_all            0.032