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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/1/52/64/1526456.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_1526456
loop_
_publ_author_name
'Ivanov, S.A.'
'Eriksson, S.'
'Thomas, N.W.'
'Tellgren, R.'
'Rundlof, H.'
_publ_section_title
;
 A neutron powder diffraction study of the ferroelectric relaxor Pb (Fe1/2
 Ta1/2) O3
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              25
_journal_page_last               33
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum            'Fe0.5 O3 Pb Ta0.5'
_chemical_name_systematic        'Pb ((Fe Ta) O6)0.5'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.6618
_cell_length_b                   5.6618
_cell_length_c                   6.9407
_cell_volume                     192.683
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Ivanov_JCOMEL_2001_1350.cif
_cod_data_source_block           Fe0.5O3Pb1Ta0.5
_cod_original_cell_volume        192.6828
_cod_original_formula_sum        'Fe0.5 O3 Pb1 Ta0.5'
_cod_database_code               1526456
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z
x,x-y,z
-x+y,y,z
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+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
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+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
O1 O-2 0.177 0.823 0.342 1 0.0
Ta1 Ta+5 0 0 0.483 0.5 0.0
Pb1 Pb+2 0 0 0 1 0.0
Fe1 Fe+3 0 0 0.483 0.5 0.0
