#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/67/1526765.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_1526765
loop_
_publ_author_name
'Takeuchi, K.'
'Richardson, J.W.jr.'
'Loong, C.-K.'
'Guan, J.'
'Dorris, S.E.'
'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 Ce0.75 O2.875 Y0.25'
_chemical_name_systematic        'Ba (Ce0.75 Y0.25) O2.875'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   6.207
_cell_length_b                   6.207
_cell_length_c                   15.163
_cell_volume                     505.917
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Takeuchi_SSIOD3_2000_620.cif
_cod_data_source_block           Ba1Ce0.75O2.875Y0.25
_cod_original_formula_sum        'Ba1 Ce0.75 O2.875 Y0.25'
_cod_database_code               1526765
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,z-1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+5/6
-x+2/3,-x+y+1/3,-z+5/6
x-y+2/3,-y+1/3,-z+5/6
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z-1/6
x+2/3,x-y+1/3,z-1/6
-x+y+2/3,y+1/3,z-1/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+7/6
-x+1/3,-x+y+2/3,-z+7/6
x-y+1/3,-y+2/3,-z+7/6
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+1/6
x+1/3,x-y+2/3,z+1/6
-x+y+1/3,y+2/3,z+1/6
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 0 0.25 1 0.0
Y1 Y+3 0 0 0 0.25 0.0
O1 O-2 0.449 0 0.25 0.958 0.0
Ce1 Ce+4 0 0 0 0.75 0.0
