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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/29/1532919.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_1532919
loop_
_publ_author_name
'Jones, G.O.'
'Kreisel, J.'
'Thomas, P.A.'
_publ_section_title
;
 A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as
 a function of substitution (x) and temperature
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              301
_journal_page_last               319
_journal_volume                  17
_journal_year                    2002
_chemical_formula_sum            'Bi0.5 K0.25 Na0.25 O3 Ti'
_chemical_name_systematic        '(Na0.5 K0.5)0.5 Bi0.5 (Ti O3)'
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.5207
_cell_length_b                   5.5207
_cell_length_c                   13.567
_cell_volume                     358.099
_citation_journal_id_ASTM        PODIE2
_cod_data_source_file            Jones_PODIE2_2002_606.cif
_cod_data_source_block           Bi0.5K0.25Na0.25O3Ti1
_cod_original_cell_volume        358.0987
_cod_original_formula_sum        'Bi0.5 K0.25 Na0.25 O3 Ti1'
_cod_database_code               1532919
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z+1/2
x,x-y,z+1/2
-x+y,y,z+1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+5/6
x+2/3,x-y+1/3,z+5/6
-x+y+2/3,y+1/3,z+5/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+7/6
x+1/3,x-y+2/3,z+7/6
-x+y+1/3,y+2/3,z+7/6
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
Na1 Na+1 0 0 0.2543 0.25 0.0
Bi1 Bi+3 0 0 0.2543 0.5 0.0
Ti1 Ti+4 0 0 0.001 1 0.0
K1 K+1 0 0 0.2543 0.25 0.0
O1 O-2 0.1671 0.3342 0.0833 1 0.0
