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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/1/52/56/1525621.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_1525621
loop_
_publ_author_name
'Bedoya, C.'
'Muller, C.'
'Baudour, J.L.'
'Soubeyroux, J.L.'
'Bouree, F.'
'Roubin, M.'
_publ_section_title
;
 Ferroelectric - paraelectric phase transition in Pb Hf0.2 Ti0.8 O3
 studied by neutron powder diffraction
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              6453
_journal_page_last               6470
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum            'Hf0.2 O3 Pb Ti0.8'
_chemical_name_systematic        'Pb (Hf0.2 Ti0.8) O3'
_space_group_IT_number           99
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.9299
_cell_length_b                   3.9299
_cell_length_c                   4.1239
_cell_volume                     63.690
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Bedoya_JCOMEL_2001_1362.cif
_cod_data_source_block           Hf0.2O3Pb1Ti0.8
_cod_original_cell_volume        63.68998
_cod_original_formula_sum        'Hf0.2 O3 Pb1 Ti0.8'
_cod_database_code               1525621
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x,y,z
-y,-x,z
x,-y,z
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_U_iso_or_equiv
Ti1 Ti+4 0.5 0.5 0.534 0.8 0.0
O1 O-2 0.5 0.5 0.11 1 0.0
Hf1 Hf+4 0.5 0.5 0.534 0.2 0.0
Pb1 Pb+2 0 0 0 1 0.0
O2 O-2 0.5 0 0.624 1 0.0
