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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/1/52/59/1525908.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_1525908
loop_
_publ_author_name
'Dmowski, W.'
'Egami, T.'
'Davies, P.K.'
'Farber, L.'
_publ_section_title
;
 Structure of Pb (Zr, Ti) O3 near the morphotropic phase boundary
;
_journal_name_full               'AIP Conference Proceedings'
_journal_page_first              33
_journal_page_last               44
_journal_volume                  582
_journal_year                    2001
_chemical_formula_sum            'O3 Pb Ti0.48 Zr0.52'
_chemical_name_systematic        'Pb (Zr0.52 Ti0.48) 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                 90.493
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.7154
_cell_length_b                   5.704
_cell_length_c                   4.1378
_cell_volume                     134.890
_citation_journal_id_ASTM        APCPCS
_cod_data_source_file            Dmowski_APCPCS_2001_1447.cif
_cod_data_source_block           O3Pb1Ti0.48Zr0.52
_cod_original_cell_volume        134.89
_cod_original_formula_sum        'O3 Pb1 Ti0.48 Zr0.52'
_cod_database_code               1525908
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 0.1937 0.2595 0.3777 1 0.0
O1 O-2 0.5423 0 -0.0899 1 0.0
Pb1 Pb+2 0 0 0 1 0.0
Ti1 Ti+4 0.484 0 0.4433 0.48 0.0
Zr1 Zr+4 0.51 0 0.4404 0.52 0.0
