#------------------------------------------------------------------------------
#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/33/1513334.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_1513334
loop_
_publ_author_name
'Joseph, J.'
'Vimala, T.M.'
'Sivasubramanian, V.'
_publ_section_title
;
 Structural investigations on Pb (Zrx Ti1-x) O3 solid solutions using the
 X-ray Rietveld method
;
_journal_name_full               'Journal of Materials Science'
_journal_page_first              1571
_journal_page_last               1575
_journal_volume                  35
_journal_year                    2000
_chemical_formula_structural     'Pb (Zr0.1 Ti0.9) O3'
_chemical_formula_sum            'O3 Pb Ti0.9 Zr0.1'
_chemical_name_systematic        'Lead Zirconium Titanium Oxide (1/0.1/0.9/3)'
_space_group_IT_number           99
_symmetry_Int_Tables_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                   3.9272(2)
_cell_length_b                   3.9272(2)
_cell_length_c                   4.1319(3)
_cell_volume                     63.726(7)
_[local]_cod_data_source_file    PZT_3.cif
_[local]_cod_data_source_block   PZT
_[local]_cod_chemical_formula_sum_orig 'O3 Pb1 Ti0.9 Zr0.1'
_cod_original_cell_volume        63.73
_cod_database_code               1513334
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'y, -x, z'
2 '-y, x, z'
3 '-y, -x, z'
4 'y, x, z'
5 'x, -y, z'
6 '-x, y, z'
7 '-x, -y, z'
8 'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_U_iso_or_equiv
Pb1 Pb2+ 1 a 0 0 0 1. 0 0.53(2)
Ti1 Ti4+ 1 b 0.5 0.5 0.5279(24) 0.9 0 0.24(9)
Zr1 Zr4+ 1 b 0.5 0.5 0.5279(24) 0.1 0 0.24(9)
O1 O2- 2 c 0.5 0 0.6163(27) 1. 0 1.44(27)
O2 O2- 1 b 0.5 0.5 0.1288(37) 1. 0 1.44(27)
loop_
_atom_type_symbol
_atom_type_oxidation_number
O2- -2
Pb2+ 2
Ti4+ 4
Zr4+ 4
_journal_paper_doi 10.1023/A:1004778223721