#------------------------------------------------------------------------------
#$Date: 2015-10-05 10:42:52 +0200 (lun 05 de oct de 2015) $
#$Revision: 159634 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/33/1533396.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_1533396
loop_
_publ_author_name
'Akimov, A.I.'
'Savchuk, G.K.'
'Letko, A.K.'
'Rubtsov, V.A.'
_publ_section_title
;
 Refinement of the crystal structure of lead titanate with different
 degrees of imperfection of cationic and anionic sublattices by the
 Rietveld method
;
_journal_name_full               Kristallografiya
_journal_page_first              273
_journal_page_last               277
_journal_volume                  48
_journal_year                    2003
_chemical_formula_sum            'O2.928 Pb0.993 Ti0.986'
_chemical_name_systematic        'Pb0.993 (Ti0.986 O2.928)'
_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                   3.8989
_cell_length_b                   3.8989
_cell_length_c                   4.1541
_cell_volume                     63.148
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Akimov_KRISAJ_2003_474.cif
_cod_data_source_block           O2.928Pb0.993Ti0.986
_cod_original_cell_volume        63.14822
_cod_database_code               1533396
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+3 0.5 0.5 0.4701 0.986 0.0
O2 O-2 0.5 0 0.6458 0.9522 0.0
Pb1 Pb+2 0 0 0 0.993 0.0
O1 O-2 0.5 0.5 0.0716 1 0.0
