#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/12/1521252.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_1521252
loop_
_publ_author_name
'Ivanov, S.A.'
'Tellgren, R.'
'Thomas, N.W.'
'Rundlof, H.'
'Ananta, S.'
_publ_section_title
;
 Investigation of the structure of the relaxor ferroelectric Pb (Fe1/2
 Nb1/2) O3 by neutron diffraction
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              2393
_journal_page_last               2400
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Fe0.5 Nb0.5 O3 Pb'
_chemical_name_systematic        'Pb ((Fe Nb) O6)0.5'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_cell_angle_alpha                89.98
_cell_angle_beta                 89.98
_cell_angle_gamma                89.98
_cell_formula_units_Z            1
_cell_length_a                   4.0123
_cell_length_b                   4.0123
_cell_length_c                   4.0123
_cell_volume                     64.592
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Ivanov_JCOMEL_2000_1466.cif
_cod_data_source_block           Fe0.5Nb0.5O3Pb1
_cod_original_cell_volume        64.59221
_cod_original_sg_symbol_Hall     'R 3 -2" (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'Fe0.5 Nb0.5 O3 Pb1'
_cod_database_code               1521252
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
y,x,z
z,y,x
x,z,y
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
Pb1 Pb+2 0.012 0.012 0.012 1 0.0
O1 O-2 0.5256 0.5256 0.003 1 0.0
Fe1 Fe+3 0.5 0.5 0.5 0.5 0.0
Nb1 Nb+5 0.5 0.5 0.5 0.5 0.0
