#------------------------------------------------------------------------------
#$Date: 2017-07-05 18:00:02 +0100 (Wed, 05 Jul 2017) $
#$Revision: 198481 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/15/2101515.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2101515
loop_
_publ_author_name
'Srikanth, V.'
'Idink, H.'
'White, W. B.'
'Subbarao, E. C.'
'Rajagopal, H.'
'Sequeira, A.'
_publ_section_title
;
 Cation disorder in ferroelectric PbBi~2~Nb~2~O~9~
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              432
_journal_page_last               439
_journal_paper_doi               10.1107/S0108768195015072
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'Bi2 Nb2 O9 Pb'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           36
_space_group_name_Hall           'A -2 2a'
_space_group_name_H-M_alt        'A 21 a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.504(3)
_cell_length_b                   5.487(3)
_cell_length_c                   25.511(5)
_cell_volume                     770.4(6)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.216
_cod_data_source_file            br0024.cif
_cod_data_source_block           br0024b
_cod_depositor_comments
;
 Changing the space group from 'P -2 2a' to 'A -2 2a' after consulting
 the original publication. All related space group information was changed
 accordingly.

 Antanas Vaitkus,
 2017-07-05
;
_cod_original_sg_symbol_Hall     'A -2 2a'
_cod_original_sg_symbol_H-M      'A 21 a m'
_cod_original_formula_sum        'Bi2 Nb2 O9 Pb1'
_cod_database_code               2101515
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,y,-z
3 x+1/2,-y,-z
4 x+1/2,-y,z
5 x,y+1/2,z+1/2
6 x,y+1/2,-z+1/2
7 x+1/2,-y+1/2,-z+1/2
8 x+1/2,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb/Bi 0.25 .269(3) 0.50
Bi/Pb .266(5) .742(3) .2013(2)
Nb .278(4) .744(3) .4115(2)
O(1) .309(6) .194(5) 0.0
O(2) .303(3) .275(3) .1593(2)
O(3) .524(6) .498(2) .2473(5)
O(4) .528(4) .027(2) .5715(3)
O(5) .597(4) .5457(18) .5846(3)