#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002331.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_2002331
_chemical_name_systematic          'Tetraaluminium dibismuth oxide'
_chemical_formula_structural       'Al4 Bi2 O9'
_chemical_formula_sum              'Al4 Bi2 O9'
_publ_section_title                'Zur Kristallstruktur von Al4 Bi2 O9'
loop_
_publ_author_name
  'Arpe, R'
  'Mueller-Buschbaum, Hk'
_journal_name_full                 'Journal of Inorganic and Nuclear Chemistry'
_journal_volume                    39
_journal_year                      1977
_journal_page_first                233
_journal_page_last                 235
_cell_length_a                     7.722
_cell_length_b                     8.112
_cell_length_c                     5.703
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       357.2
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P b a m'
_symmetry_Int_Tables_number        55
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  'x,y,-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Al3+   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
  Al1   Al3+   4 e 0. 0. 0.2606 1.  0 d
  Al2   Al3+   4 h 0.3526 0.1596 0.5 1.  0 d
  Bi1   Bi3+   4 g 0.1711 0.3321 0. 1.  0 d
  O1    O2-    4 g 0.143 0.071 0. 1.  0 d
  O2    O2-    4 h 0.139 0.087 0.5 1.  0 d
  O3    O2-    8 i 0.372 0.294 0.251 1.  0 d
  O4    O2-    2 d 0.5 0. 0.5 1.  0 d
_refine_ls_R_factor_all            0.047