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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/14/1521480.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_1521480
loop_
_publ_author_name
'Lampis, N.'
'Geddo Lehmann, A.'
'Sciau, P.'
_publ_section_title
;
 Rietveld refinements of the paraelectric and ferroelectric structures of
 Pb Fe0.5 Nb0.5 O3
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              3489
_journal_page_last               3500
_journal_volume                  11
_journal_year                    1999
_chemical_formula_sum            'Fe0.5 Nb0.5 O3 Pb'
_chemical_name_systematic        'Pb (Fe0.5 Nb0.5) O3'
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 89.84
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.674
_cell_length_b                   5.663
_cell_length_c                   4.013
_cell_volume                     128.945
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Lampis_JCOMEL_1999_85.cif
_cod_data_source_block           Fe0.5Nb0.5O3Pb1
_cod_original_cell_volume        128.9447
_cod_original_formula_sum        'Fe0.5 Nb0.5 O3 Pb1'
_cod_database_code               1521480
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z
x+1/2,y+1/2,z
x+1/2,-y+1/2,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_U_iso_or_equiv
O2 O-2 0.213 0.235 0.45 1 0.0
Pb1 Pb+2 0 0 0 1 0.0
O1 O-2 0.488 0 -0.019 1 0.0
Fe1 Fe+3 0.483 0 0.479 0.5 0.0
Nb1 Nb+5 0.483 0 0.479 0.5 0.0
