#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (Thu 18 de Feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/40/1004040.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_1004040
loop_
_publ_author_name
'Abraham, F'
'Thomas, D'
_publ_section_title              'Structure cristalline de Bi₃ Ru₃ O₁₁'
_journal_coden_ASTM              BSCFAS
_journal_name_full
;
Bulletin de la Societe Chimique de France (Vol=Year)
;
_journal_page_first              25
_journal_page_last               29
_journal_volume                  1975
_journal_year                    1975
_chemical_formula_structural     'Bi3 Ru3 O11'
_chemical_formula_sum            'Bi3 O11 Ru3'
_chemical_name_systematic        'Bismuth ruthenium oxide (3/3/11)'
_space_group_IT_number           201
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ab 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.302
_cell_length_b                   9.302
_cell_length_c                   9.302
_cell_volume                     804.9
_refine_ls_R_factor_all          0.069
_cod_original_sg_symbol_H-M      'P n -3 Z'
_cod_database_code               1004040
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_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 Bi0 4 b 0. 0. 0. 1. 0 d
Bi2 Bi0 8 e 0.38379(9) 0.38379(9) 0.38379(9) 1. 0 d
Ru1 Ru0 12 g 0.3897(3) 0.75 0.25 1. 0 d
O1 O0 12 f 0.590(3) 0.25 0.25 1. 0 d
O2 O0 8 e 0.152(2) 0.152(2) 0.152(2) 1. 0 d
O3 O0 24 h 0.599(2) 0.247(2) 0.547(2) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Bi0 0.000
Ru0 0.000
O0 0.000
