#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1004097.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_1004097
_chemical_name_systematic
;
Bismuth lead vanadium oxide (1.9/0.2/0.9/5.3)
;
_chemical_formula_structural       'Bi1.9 Pb0.2 V0.9 O5.3'
_chemical_formula_sum              'Bi1.9 O5.3 Pb.2 V.9'
_publ_section_title
;
Electrical and structural investigations on a new bismuth lead vanadium
oxide solid electrolyte
;
loop_
_publ_author_name
  'Vannier, R N'
  'Mairesse, G'
  'Nowogrocki, G'
  'Abraham, F'
  'Boivin, J C'
_journal_name_full                 'Solid State Ionics'
_journal_coden_ASTM                SSIOD3
_journal_volume                    53
_journal_year                      1992
_journal_page_first                713
_journal_page_last                 722
_cell_length_a                     3.965(3)
_cell_length_b                     3.965(3)
_cell_length_c                     15.46(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       243.1
_cell_formula_units_Z              2
_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
  Pb2+   2.000
  V5+    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
  Bi1   Bi3+  16 m 0.037(1) 0.037(1) 0.1634(2) 0.1188  0 d
  Pb1   Pb2+  16 m 0.037(1) 0.037(1) 0.1634(2) 0.0063  0 d
  Bi2   Bi3+   4 e 0. 0. 0.1763(2) 0.475  0 d
  Pb2   Pb2+   4 e 0. 0. 0.1763(2) 0.025  0 d
  V1    V5+   16 n 0.061(2) 0. 0.5109(5) 0.1125  0 d
  Pb3   Pb2+  16 n 0.061(2) 0. 0.5109(5) 0.0125  0 d
  O1    O2-    4 d 0. 0.5 0.25 1.  0 d
  O2    O2-   16 n 0.165(14) 0. 0.408(3) 0.25  0 d
  O3    O2-    8 i 0.414(31) 0. 0. 0.325  0 d
_refine_ls_R_factor_all            0.042