#------------------------------------------------------------------------------
#$Date: 2017-09-27 13:25:43 +0200 (Wed 27 de Sep de 2017) $
#$Revision: 201368 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/59/1545919.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_1545919
loop_
_publ_author_name
'Mahmood, Natheer B.'
'Al-Shakarchi, Emad K.'
_publ_section_title
;
 Simulation and Experimental data of P-E Hysteresis Loop in BNT and BKT
;
_journal_coden_ASTM              JMPOCW
_journal_issue                   5
_journal_name_full               'Journal of Modern Physics'
_journal_page_first              844
_journal_page_last               851
_journal_paper_doi               10.4236/jmp.2017.85053
_journal_volume                  8
_journal_year                    2017
_chemical_formula_analytical     Bi0.5K0.5TiO3
_chemical_formula_structural     Bi0.5K0.5TiO3
_chemical_formula_sum            'Bi0.5 K0.5 O3 Ti'
_chemical_formula_weight         219.918
_chemical_formula_weight_meas    219.900
_chemical_melting_point          1433.000
_chemical_name_common            Bi0.5K0.5TiO3
_chemical_name_mineral           BKT
_space_group_IT_number           99
_symmetry_Int_Tables_number      99
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_audit_creation_date             2017-05-04
_audit_creation_method
'Created with CONVERT.DLL (www.crystalimpact.com)'
_audit_update_record             2017-05-04
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            1
_cell_length_a                   3.9071
_cell_length_b                   3.9071
_cell_length_c                   3.9571
_cell_volume                     60.407
_exptl_crystal_density_meas      5.927
_cod_data_source_file            BKTP4MM.cif
_cod_data_source_block           BKT
_cod_original_cell_volume        60.4
_cod_original_sg_symbol_Hall     P_4_-2
_cod_original_formula_sum        'Bi0.5 K0.5 Ti O3'
_cod_database_code               1545919
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -y,x,z
3 -x,-y,z
4 y,-x,z
5 -x,y,z
6 x,-y,z
7 -y,-x,z
8 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_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_calc_flag
Bi1 Bi 0.0000 0.0000 0.0000 0.500 1 a d
K1 K 0.0000 0.0000 0.0000 0.500 1 a d
Ti1 Ti 0.5000 0.5000 0.4820 1.000 1 b d
O1 O 0.5000 0.5000 0.0160 1.000 1 b d
O2 O 0.5000 0.0000 0.5150 1.000 2 c d
loop_
_atom_type_symbol
Bi
K
Ti
O
