#------------------------------------------------------------------------------
#$Date: 2020-10-23 05:46:45 +0300 (Fri, 23 Oct 2020) $
#$Revision: 258571 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/93/1559397.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_1559397
loop_
_publ_author_name
'Idemoto, Y.'
'Fujishiro, N.'
'Kitamura, N.'
_publ_section_title
;
 Ferroelectric and piezoelectric properties, and crystal structures of
 (Bi,Na)(Ti,M)O3 (M = Nb, Ta)
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              766
_journal_page_last               771
_journal_paper_doi               10.2109/jcersj2.20060
_journal_volume                  128
_journal_year                    2020
_chemical_formula_sum            'Bi0.488 Na0.512 Nb0.025 O3 Ti0.975'
_chemical_name_common            (Bi0.488Na0.512)(Ti0.975Nb0.025)O3
_space_group_IT_number           161
_space_group_name_Hall           'R 3 -2"c'
_space_group_name_H-M_alt        'R 3 c :H'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                120.000000
_cell_formula_units_Z            6
_cell_length_a                   5.5043(7)
_cell_length_b                   5.5043(7)
_cell_length_c                   13.54800(10)
_cell_volume                     355.48(6)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            BiNaTiNbO3.cif
_cod_data_source_block           BiNaTiNbO3
_cod_original_cell_volume        355.475801
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'Bi0.488 Na0.512 Ti0.975 Nb0.025 O3'
_cod_database_code               1559397
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 -y,-x,z+1/2
5 -x+y,y,z+1/2
6 x,x-y,z+1/2
7 x+2/3,y+1/3,z+1/3
8 -y+2/3,x-y+1/3,z+1/3
9 -x+y+2/3,-x+1/3,z+1/3
10 -y+2/3,-x+1/3,z+5/6
11 -x+y+2/3,y+1/3,z+5/6
12 x+2/3,x-y+1/3,z+5/6
13 x+1/3,y+2/3,z+2/3
14 -y+1/3,x-y+2/3,z+2/3
15 -x+y+1/3,-x+2/3,z+2/3
16 -y+1/3,-x+2/3,z+1/6
17 -x+y+1/3,y+2/3,z+1/6
18 x+1/3,x-y+2/3,z+1/6
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
NaBi 0.4690 0.000000 0.000000 0.2633(8) Bani 3.2(1) Bi
BiNa 0.5080 0.000000 0.000000 0.2633(8) Bani 3.2(1) Na
NbTi 0.9770 0.000000 0.000000 0.0100(10) Bani 0.2(1) Ti
TiNb 0.0230 0.000000 0.000000 0.0100(10) Bani 0.2(1) Nb
O 0.9900 0.1257(9) 0.3360(10) 0.083333 Bani 2.01(7) O
