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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/1/52/10/1521059.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_1521059
loop_
_publ_author_name
'Genet, F.'
'Loridant, S.'
'Ritter, C.'
'Lucazeau, G.'
_publ_section_title
;
 Phase transitions in Ba Ce O3 : neutron diffraction and Raman studies
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              2009
_journal_page_last               2021
_journal_volume                  60
_journal_year                    1999
_chemical_formula_sum            'Ba Ce O3'
_chemical_name_systematic        'Ba (Ce O3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.2517
_cell_length_b                   8.7906
_cell_length_c                   6.2271
_cell_volume                     342.218
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Genet_JPCSAW_1999_233.cif
_cod_data_source_block           Ba1Ce1O3
_cod_original_cell_volume        342.2177
_cod_original_formula_sum        'Ba1 Ce1 O3'
_cod_database_code               1521059
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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 0.2707 0.0377 0.7302 1 0.0
Ce1 Ce+4 0 0 0.5 1 0.0
O1 O-2 0.491 0.25 0.071 1 0.0
Ba1 Ba+2 0.0123 0.25 -0.0038 1 0.0
