#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/33/1533325.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_1533325
loop_
_publ_author_name
'Chandra, A.'
'Pandey, D.'
_publ_section_title
;
 Evolution of crystallographic phases in the system (Pb1-x Cax) Ti O3: a
 Rietveld study
;
_journal_name_full               'Journal of Materials Research'
_journal_page_first              407
_journal_page_last               414
_journal_volume                  18
_journal_year                    2003
_chemical_formula_sum            'Ca0.39 O3 Pb0.61 Ti'
_chemical_name_systematic        '(Pb0.61 Ca0.39) (Ti O3)'
_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                   3.88
_cell_length_b                   3.88
_cell_length_c                   3.97
_cell_volume                     59.766
_citation_journal_id_ASTM        JMREEE
_cod_data_source_file            Chandra_JMREEE_2003_434.cif
_cod_data_source_block           Ca0.39O3Pb0.61Ti1
_cod_original_cell_volume        59.76597
_cod_original_formula_sum        'Ca0.39 O3 Pb0.61 Ti1'
_cod_database_code               1533325
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+4 0.5 0.5 0.453 1 0.0
Ca1 Ca+2 0 0 0 0.388 0.0
O1 O-2 0.5 0.5 0.111 1 0.0
O2 O-2 0.5 0 0.457 1 0.0
Pb1 Pb+2 0 0 0 0.612 0.0
