#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/41/1004135.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_1004135
_chemical_name_systematic          'Bismuth lanthanum oxide (0.78/0.23/1.5)'
_chemical_formula_structural       'Bi0.775 La0.225 O1.5'
_chemical_formula_sum            'Bi0.775 La0.225 O1.5'
_[local]_cod_chemical_formula_sum_orig 'Bi.775 La.225 O1.5'
_publ_section_title
;
Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5
oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with
rhombohedral Bi-Sr-O type
;
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_[local]_cod_cif_authors_sg_H-M  'R -3 m H'
loop_
_publ_author_name
  'Drache, M'
  'Obbade, S'
  'Wignacourt, J P'
  'Conflant, P'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    142
_journal_year                      1999
_journal_page_first                349
_journal_page_last                 359
_cell_length_a                     4.0242(2)
_cell_length_b                     4.0242(2)
_cell_length_c                     27.59999(100)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       387.1
_cell_formula_units_Z              9
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'x,x-y,z'
  'y-x,y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  '-x,y-x,-z'
  'x-y,-y,-z'
  '1/3+x,2/3+y,2/3+z'
  '2/3+x,1/3+y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  '2/3-y,1/3-x,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x,2/3-y,2/3-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  '2/3+x-y,1/3-y,1/3-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Bi3+   3.000
  La3+   3.000
  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+   3 a 0. 0. 0. 0.325  0 d
  La1   La3+   3 a 0. 0. 0. 0.675  0 d
  Bi2   Bi3+   6 c 0. 0. 0.2243(1) 1.  0 d
  O1    O2-    6 c 0. 0. 0.300(1) 1.  0 d
  O2    O2-    6 c 0. 0. 0.092(1) 0.82(2)  0 d
  O3    O2-    6 c 0. 0. 0.441(2) 0.43(2)  0 d
_refine_ls_R_factor_all            0.059
_cod_database_code 1004135