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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/1/52/67/1526761.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_1526761
loop_
_publ_author_name
'Takeuchi, K.'
'Dorris, S.E.'
'Loong, C.-K.'
'Guan, J.'
'Richardson, J.W.jr.'
'Balachandran, U.'
_publ_section_title
;
 The crystal structures and phase transitions in Y-doped Ba Ce O3: their
 dependence on Y concentration and hydrogen doping
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              63
_journal_page_last               77
_journal_volume                  138
_journal_year                    2000
_chemical_formula_sum            'Ba Ce0.8 O2.9 Y0.2'
_chemical_name_systematic        'Ba (Ce0.8 Y0.2) O2.9'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.15
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.242
_cell_length_b                   8.731
_cell_length_c                   6.23
_cell_volume                     339.460
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Takeuchi_SSIOD3_2000_617.cif
_cod_data_source_block           Ba1Ce0.8O2.9Y0.2
_cod_original_cell_volume        339.4598
_cod_original_sg_symbol_Hall     '-C 2y (x,y,-x+z)'
_cod_original_formula_sum        'Ba1 Ce0.8 O2.9 Y0.2'
_cod_database_code               1526761
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,-y+1/2,z+1/2
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
Ba1 Ba+2 0.238 0 0.753 1 0.0
Ce1 Ce+4 0.25 0.25 0.25 0.8 0.0
Y1 Y+3 0.25 0.25 0.25 0.2 0.0
O3 O-2 0.5 0.2232 0 0.95 0.0
O2 O-2 0 0.3079 0 0.95 0.0
O1 O-2 0.179 0 0.2255 1 0.0
