#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (mar 27 de ene de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/23/2002331.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
loop_
_publ_author_name
'Arpe, R'
'Mueller-Buschbaum, Hk'
_publ_section_title              'Zur Kristallstruktur von Al4 Bi2 O9'
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              233
_journal_page_last               235
_journal_paper_doi               10.1016/0022-1902(77)80005-5
_journal_volume                  39
_journal_year                    1977
_chemical_formula_structural     'Al4 Bi2 O9'
_chemical_formula_sum            'Al4 Bi2 O9'
_chemical_name_systematic        'Tetraaluminium dibismuth oxide'
_space_group_IT_number           55
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.722
_cell_length_b                   8.112
_cell_length_c                   5.703
_cell_volume                     357.2
_refine_ls_R_factor_all          0.047
_cod_database_code               2002331
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Al3+ 3.000
Bi3+ 3.000
O2- -2.000
