#------------------------------------------------------------------------------
#$Date: 2012-02-28 12:14:52 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/40/1004056.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_1004056
_chemical_name_systematic          'Tribismuth triruthenium undecaoxide'
_chemical_formula_structural       'Bi3 Ru3 O11'
_chemical_formula_sum              'Bi3 O11 Ru3'
_publ_section_title                'Structure cristalline de Bi~3~ Ru~3~ O~11~'
_space_group_IT_number           201
_symmetry_space_group_name_Hall  '-P 2ab 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 :2'
_[local]_cod_cif_authors_sg_H-M  'P n -3 Z'
loop_
_publ_author_name
  'Abraham, F'
  'Thomas, D'
  'Nowogrocki, G'
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie
(72,1949-100,1977)
;
_journal_coden_ASTM                BUFCAE
_journal_volume                    98
_journal_year                      1975
_journal_page_first                25
_journal_page_last                 29
_cell_length_a                     9.302
_cell_length_b                     9.302
_cell_length_c                     9.302
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       804.9
_cell_formula_units_Z              4
_exptl_crystal_density_meas        8.8
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,1/2-z'
  '1/2-x,y,1/2-z'
  '1/2-x,1/2-y,z'
  'y,z,x'
  '1/2-y,1/2-z,x'
  'y,1/2-z,1/2-x'
  '1/2-y,z,1/2-x'
  'z,x,y'
  '1/2-z,x,1/2-y'
  '1/2-z,1/2-x,y'
  'z,1/2-x,1/2-y'
  '-x,-y,-z'
  '-x,1/2+y,1/2+z'
  '1/2+x,-y,1/2+z'
  '1/2+x,1/2+y,-z'
  '-y,-z,-x'
  '1/2+y,1/2+z,-x'
  '-y,1/2+z,1/2+x'
  '1/2+y,-z,1/2+x'
  '-z,-x,-y'
  '1/2+z,-x,1/2+y'
  '1/2+z,1/2+x,-y'
  '-z,1/2+x,1/2+y'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Bi3+   3.000
  Ru4+   4.330
  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 b 0. 0. 0. 1.  0 d
  Bi2   Bi3+   8 e 0.38379(9) 0.38379(9) 0.38379(9) 1.  0 d
  Ru1   Ru4+  12 g 0.3897(3) 0.75 0.25 1.  0 d
  O1    O2-   12 f 0.590(3) 0.25 0.25 1.  0 d
  O2    O2-    8 e 0.152(2) 0.152(2) 0.152(2) 1.  0 d
  O3    O2-   24 h 0.599(2) 0.247(2) 0.547(2) 1.  0 d
_refine_ls_R_factor_all            0.069
_cod_database_code 1004056