#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/40/1004088.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_1004088
_chemical_name_systematic          'Bismuth lanthanum oxide (0.7/0.3/1.5)'
_chemical_formula_structural       'Bi0.7 La0.3 O1.5'
_chemical_formula_sum            'Bi0.7 La0.3 O1.5'
_[local]_cod_chemical_formula_sum_orig 'Bi.7 La.3 O1.5'
_publ_section_title
;
Etude structurale par diffraction X sur monocristal et diffraction
neutronique sur poudre de l'oxyde mixte Bi~.7~ La~.3~ O~1.5~
;
_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
  'Mercurio, D'
  'El Farissi, M'
  'Champarnaud Mesjard, J C'
  'Frit, B'
  'Conflant, P'
  'Roult, G'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    80
_journal_year                      1989
_journal_page_first                133
_journal_page_last                 143
_cell_length_a                     4.040(2)
_cell_length_b                     4.040(2)
_cell_length_c                     27.557(7)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       389.5
_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
  La3+   3.000
  Bi3+   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
  La1   La3+   3 a 0. 0. 0. 0.9  0 d
  Bi1   Bi3+   3 a 0. 0. 0. 0.1  0 d
  Bi2   Bi3+   6 c 0. 0. 0.2250(1) 1.  0 d
  O1    O2-    6 c 0. 0. 0.3011(1) 0.988(9)  0 d
  O2    O2-    6 c 0. 0. 0.0935(1) 0.799(8)  0 d
  O3    O2-    6 c 0. 0. 0.4361(5) 0.285(8)  0 d
  O4    O2-   18 h 0.2113(5) 0.4226(10) 0.5027(14) 0.066(6)  0 d
_cod_database_code 1004088