#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/66/1526684.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_1526684
loop_
_publ_author_name
'Knight, K.S.'
_publ_section_title
;
 Powder neutron diffraction studies of Ba Ce0.9 Y0.1 O2.95 and Ba Ce O3 at
 4.2 K: a possible structural site for the proton
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              43
_journal_page_last               48
_journal_volume                  127
_journal_year                    2000
_chemical_formula_sum            'Ba Ce0.9 H0.14 O2.95 Y0.1'
_chemical_name_systematic        'Ba Ce0.9 Y0.1 H0.14 O2.95'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.75847
_cell_length_b                   6.22666
_cell_length_c                   6.21109
_cell_volume                     338.728
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Knight_SSIOD3_2000_555.cif
_cod_data_source_block           H0.14Ba1Ce0.9O2.95Y0.1
_cod_original_cell_volume        338.7281
_cod_original_sg_symbol_Hall     '-P 2ac 2n (y,z,x)'
_cod_original_formula_sum        'H0.14 Ba1 Ce0.9 O2.95 Y0.1'
_cod_database_code               1526684
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y,-z
-x,-y,-z
x,-y-1/2,z-1/2
x-1/2,y-1/2,-z-1/2
-x-1/2,y,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
Ba1 Ba+2 0.25 -0.0069 0.0199 1 0.0
H1 H+1 0.1358 0.7647 0.3372 0.07 0.0
Y1 Y+3 0 0.5 0 0.1 0.0
O1 O-2 0.25 0.4214 -0.0131 1 0.0
Ce1 Ce+4 0 0.5 0 0.9 0.0
O2 O-2 0.0428 0.7246 0.2753 0.975 0.0
