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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/23/4002351.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_4002351
loop_
_publ_author_name
'Kusainova, A.M.'
'Lightfoot, P.'
'Dolgikh, V.A.'
'Zhou, W.-Z.'
'Mosunov, A.V.'
'Stefanovich, S.Yu.'
_publ_section_title
;
 Ferroelectric properties and crystal structure of the layered intergrowth
 phase Bi3 Pb2 Nb2 O11 Cl
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              4731
_journal_page_last               4737
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum            'Bi3 Cl Nb2 O11 Pb2'
_chemical_name_systematic        'Bi3 Pb2 Nb2 O11 Cl'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.91038
_cell_length_b                   3.91038
_cell_length_c                   18.8342
_cell_volume                     287.995
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Kusainova_CMATEX_2001_1034.cif
_cod_data_source_block           Bi3Cl1Nb2O11Pb2
_cod_original_cell_volume        287.9951
_cod_original_formula_sum        'Bi3 Cl1 Nb2 O11 Pb2'
_cod_database_code               4002351
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Bi2 Bi+3 0 0 0.26745 0.5 0.0
Bi1 Bi+3 0 0 0 1 0.0
Pb2 Pb+2 0.5 0.5 0.39885 0.5 0.0
Pb1 Pb+2 0 0 0.26745 0.5 0.0
O2 O-2 0 0.5 0.10486 1 0.0
O4 O-2 0 0.5 0.336 1 0.0
O3 O-2 0.5 0.5 0.21487 1 0.0
Nb1 Nb+5 0.5 0.5 0.11898 1 0.0
Bi3 Bi+3 0.5 0.5 0.39885 0.5 0.0
O1 O-2 0.5 0.5 0 1 0.0
Cl1 Cl-1 0 0 0.5 1 0.0
