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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/1/53/20/1532057.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_1532057
loop_
_publ_author_name
Ragini
'Pandey, D.'
'Ranjan, R.'
'Mishra, S.K.'
_publ_section_title
;
 Room temperature structure of Pb (Zrx Ti1-x) O3 around the morphotropic
 phase boundary region: a Rietveld study
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              3266
_journal_page_last               3274
_journal_volume                  92
_journal_year                    2002
_chemical_formula_sum            'O3 Pb Ti0.47 Zr0.53'
_chemical_name_systematic        'Pb (Zr0.53 Ti0.47) 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                 90.471
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.776
_cell_length_b                   5.7508
_cell_length_c                   4.09
_cell_volume                     135.851
_citation_journal_id_ASTM        JAPIAU
_cod_data_source_file            Ragini_JAPIAU_2002_1940.cif
_cod_data_source_block           O3Pb1Ti0.47Zr0.53
_cod_original_cell_volume        135.8514
_cod_original_formula_sum        'O3 Pb1 Ti0.47 Zr0.53'
_cod_database_code               1532057
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
O1 O-2 0.581 0 -0.059 1 0.0
O2 O-2 0.31 0.232 0.423 1 0.0
Ti1 Ti+4 0.511 0 0.431 0.47 0.0
Pb1 Pb+2 0 0 0 1 0.0
Zr1 Zr+4 0.511 0 0.431 0.53 0.0
