#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/90/1529003.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_1529003
loop_
_publ_author_name
'Wolfe, R.W.'
'Newnham, R.E.'
'Smith, D.K.jr.'
'Kay, M.I.'
_publ_section_title
;
 Crystal structure of Bi3 Ti Nb O9
;
_journal_name_full               Ferroelectrics
_journal_page_first              1
_journal_page_last               7
_journal_volume                  3
_journal_year                    1971
_chemical_formula_sum            'Bi3 Nb O9 Ti'
_chemical_name_systematic        'Bi3 (Ti Nb) O9'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'A -2 2a'
_symmetry_space_group_name_H-M   'A 21 a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.431
_cell_length_b                   5.389
_cell_length_c                   25.04999
_cell_volume                     733.155
_citation_journal_id_ASTM        FEROA8
_cod_data_source_file            Wolfe_FEROA8_1971_102.cif
_cod_data_source_block           Bi3Nb1O9Ti1
_cod_original_cell_volume        733.1546
_cod_original_sg_symbol_Hall     'C 2c -2 (z,y,-x)'
_cod_original_formula_sum        'Bi3 Nb1 O9 Ti1'
_cod_database_code               1529003
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,-z
x,y,-z
x+1/2,-y,z
x,y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
x,y+1/2,-z+1/2
x+1/2,-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
Bi2 Bi+3 0.0181 0.2697 0.19942 1 0.0
Nb1 Nb+5 0.052 0.2494 0.412 0.5 0.0
O1 O-2 0.96 0.841 0 1 0.0
O5 O-2 0.189 0.548 0.585 1 0.0
O2 O-2 0.969 0.174 0.343 1 0.0
O3 O-2 0.285 0.496 0.25 1 0.0
Bi1 Bi+3 0.5 0.7609 0 1 0.0
Ti1 Ti+4 0.052 0.2494 0.412 0.5 0.0
O4 O-2 0.267 0.525 0.069 1 0.0
