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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/1/53/83/1538393.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_1538393
loop_
_publ_author_name
'Michel, C.'
'Moreau, J.M.'
'Achenbach, G.D.'
'Gerson, R.'
'James, W.J.'
_publ_section_title
;
 Atomic structures of two rhombohedral ferroelectric phases in the Pb (Zr
 Ti) O3 solid solution series
;
_journal_name_full               'Solid State Communications'
_journal_page_first              865
_journal_page_last               868
_journal_volume                  7
_journal_year                    1969
_chemical_formula_sum            'O3 Pb Ti0.42 Zr0.58'
_chemical_name_systematic        'Pb (Zr0.58 Ti0.42) O3'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_cell_angle_alpha                89.65
_cell_angle_beta                 89.65
_cell_angle_gamma                89.65
_cell_formula_units_Z            1
_cell_length_a                   4.07
_cell_length_b                   4.07
_cell_length_c                   4.07
_cell_volume                     67.415
_citation_journal_id_ASTM        SSCOA4
_cod_data_source_file            Michel_SSCOA4_1969_112.cif
_cod_data_source_block           O3Pb1Ti0.42Zr0.58
_cod_original_cell_volume        67.41539
_cod_original_sg_symbol_Hall     'R 3 -2" (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'O3 Pb1 Ti0.42 Zr0.58'
_cod_database_code               1538393
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
y,x,z
z,y,x
x,z,y
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
Pb1 Pb+2 0.552 0.552 0.552 1 0.0
Zr1 Zr+4 0.038 0.038 0.038 0.58 0.0
Ti1 Ti+4 0.038 0.038 0.038 0.42 0.0
O1 O-2 0.558 0 0 1 0.0
