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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/1/53/30/1533004.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_1533004
loop_
_publ_author_name
'Nalini, G.'
'Subbanna, G.N.'
'Guru Row, T.N.'
_publ_section_title
;
 Studies on n=2 Aurivillius phases: structure of the series Bi3-x Lax Ti
 Nb O9 (0 <= x <= 1)
;
_journal_name_full               'Materials Chemistry and Physics'
_journal_page_first              663
_journal_page_last               671
_journal_volume                  82
_journal_year                    2003
_chemical_formula_sum            'Bi2 La Nb O9 Ti'
_chemical_name_systematic        'Bi2 La (Ti Nb O9)'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2bc 2'
_symmetry_space_group_name_H-M   'P m c b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.434
_cell_length_b                   5.442
_cell_length_c                   25.004
_cell_volume                     739.414
_citation_journal_id_ASTM        MCHPDR
_cod_data_source_file            Nalini_MCHPDR_2003_484.cif
_cod_data_source_block           Bi2La1Nb1O9Ti1
_cod_original_cell_volume        739.4139
_cod_original_sg_symbol_Hall     '-P 2 2ab (z,x,y)'
_cod_original_formula_sum        'Bi2 La1 Nb1 O9 Ti1'
_cod_database_code               1533004
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
-x,y+1/2,-z+1/2
-x,-y+1/2,z+1/2
-x,-y,-z
-x,y,z
x,-y-1/2,z-1/2
x,y-1/2,-z-1/2
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
Bi1 Bi+3 0.5 0.4958 0.2015 1 0.0
O2 O-2 0 0.49 0.1746 1 0.0
La2 La+3 0.5 0.5 0 1 0.0
O3 O-2 0.5 0 0 1 0.0
Bi2 Bi+3 0 0.4966 0.3041 1 0.0
Nb1 Nb+5 0 0.5114 0.0835 1 0.0
Ti1 Ti+4 0.5 0.0475 0.0957 1 0.0
O6 O-2 0.269 0.325 0.0722 1 0.0
O7 O-2 0.5 0.008 0.16 1 0.0
La1 La+3 0 0 0 1 0.0
O1 O-2 0.215 0.277 0.2451 1 0.0
O5 O-2 0 0.5 0 1 0.0
O4 O-2 0.2699 0.648 0.0773 1 0.0
