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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008881.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_1008881
_chemical_name_systematic
;
Bismuth vanadium cobalt oxide (4/1.70/0.30/10.55)
;
_chemical_formula_structural       'Bi4 (V0.85 Co0.15)2 O10.547'
_chemical_formula_sum              'Bi4 Co.3 O10.547 V1.7'
_publ_section_title
;
Lattice vibrations and order-disorder transition in the oxide
anionconductor BICOVOX.15: a neutron thermodiffractometry
study
;
loop_
_publ_author_name
  'Muller, C'
  'Anne, M'
  'Bacmann, M'
_journal_name_full                 'Solid State Ionics'
_journal_coden_ASTM                SSIOD3
_journal_volume                    111
_journal_year                      1998
_journal_page_first                27
_journal_page_last                 36
_cell_length_a                     3.92
_cell_length_b                     3.92
_cell_length_c                     15.5
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       238.2
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'I 4/m m m'
_symmetry_Int_Tables_number        139
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,z'
  'x,-y,z'
  '-y,x,z'
  'y,-x,z'
  'y,x,z'
  '-y,-x,z'
  '-x,-y,-z'
  'x,y,-z'
  'x,-y,-z'
  '-x,y,-z'
  'y,-x,-z'
  '-y,x,-z'
  '-y,-x,-z'
  'y,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,1/2+z'
  '1/2+x,1/2-y,1/2+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,1/2+z'
  '1/2-y,1/2-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,1/2-z'
  '1/2-x,1/2+y,1/2-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,1/2-z'
  '1/2+y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Bi3+   3.000
  V5+    4.997
  Co2+   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
  Bi1   Bi3+   4 e 0. 0. 0.1684(1) 1.  0 d
  V1    V5+    2 b 0. 0. 0.5 0.8501  0 d
  Co1   Co2+   2 b 0. 0. 0.5 0.1499  0 d
  O1    O2-    4 d 0. 0.5 0.25 1.  0 d
  O2    O2-   16 n 0. 0.179(2) 0.4023(2) 0.25  0 d
  O3    O2-   16 n 0. 0.425(4) 0.0341(8) 0.1592  0 d