#------------------------------------------------------------------------------
#$Date: 2016-11-01 14:41:24 +0200 (Tue, 01 Nov 2016) $
#$Revision: 187727 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/44/1544428.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_1544428
loop_
_publ_author_name
'Sasaki, T.'
'Ukyo, Y.'
'Kuroda, K.'
'Arai, S.'
'Muto, S.'
'Saka, H.'
_publ_section_title
;
 Crystal structure of Ce2Zr2O7 and beta-Ce2Zr2O7.5
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              440
_journal_page_last               444
_journal_volume                  112
_journal_year                    2004
_chemical_formula_sum            'Ce2 O7.5 Zr2'
_chemical_name_common            beta-Ce2Zr2O7.5
_space_group_IT_number           216
_space_group_name_H-M_alt        'F -4 3 m'
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.6451(1)
_cell_length_b                   10.6451(1)
_cell_length_c                   10.6451(1)
_cell_volume                     1206.28(2)
_cod_data_source_file            Ce2Zr2O7.5-beta.cif
_cod_data_source_block           beta-Ce2Zr2O7.5
_cod_original_formula_sum        'Ce2 Zr2 O7.5'
_cod_database_code               1544428
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y, x, z'
'-y, -x, z'
'y, -x, -z'
'-y, x, -z'
'x, z, y'
'-x, z, -y'
'-x, -z, y'
'x, -z, -y'
'z, y, x'
'z, -y, -x'
'-z, y, -x'
'-z, -y, x'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z+1/2'
'z, x+1/2, y+1/2'
'z, -x+1/2, -y+1/2'
'-z, -x+1/2, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z+1/2, x+1/2'
'-y, z+1/2, -x+1/2'
'y, -z+1/2, -x+1/2'
'-y, -z+1/2, x+1/2'
'y, x+1/2, z+1/2'
'-y, -x+1/2, z+1/2'
'y, -x+1/2, -z+1/2'
'-y, x+1/2, -z+1/2'
'x, z+1/2, y+1/2'
'-x, z+1/2, -y+1/2'
'-x, -z+1/2, y+1/2'
'x, -z+1/2, -y+1/2'
'z, y+1/2, x+1/2'
'z, -y+1/2, -x+1/2'
'-z, y+1/2, -x+1/2'
'-z, -y+1/2, x+1/2'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, y, -z+1/2'
'x+1/2, -y, -z+1/2'
'z+1/2, x, y+1/2'
'z+1/2, -x, -y+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, x, -y+1/2'
'y+1/2, z, x+1/2'
'-y+1/2, z, -x+1/2'
'y+1/2, -z, -x+1/2'
'-y+1/2, -z, x+1/2'
'y+1/2, x, z+1/2'
'-y+1/2, -x, z+1/2'
'y+1/2, -x, -z+1/2'
'-y+1/2, x, -z+1/2'
'x+1/2, z, y+1/2'
'-x+1/2, z, -y+1/2'
'-x+1/2, -z, y+1/2'
'x+1/2, -z, -y+1/2'
'z+1/2, y, x+1/2'
'z+1/2, -y, -x+1/2'
'-z+1/2, y, -x+1/2'
'-z+1/2, -y, x+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'z+1/2, x+1/2, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x+1/2, y'
'-z+1/2, x+1/2, -y'
'y+1/2, z+1/2, x'
'-y+1/2, z+1/2, -x'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z+1/2, x'
'y+1/2, x+1/2, z'
'-y+1/2, -x+1/2, z'
'y+1/2, -x+1/2, -z'
'-y+1/2, x+1/2, -z'
'x+1/2, z+1/2, y'
'-x+1/2, z+1/2, -y'
'-x+1/2, -z+1/2, y'
'x+1/2, -z+1/2, -y'
'z+1/2, y+1/2, x'
'z+1/2, -y+1/2, -x'
'-z+1/2, y+1/2, -x'
'-z+1/2, -y+1/2, x'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Ce 0.9910 0.12320(10) 0.12320(10) 0.12320(10) Biso 0.560000 Ce
ZrCe 0.0090 0.12320(10) 0.12320(10) 0.12320(10) Biso 0.560000 Zr
Zr 0.9910 0.62250(10) 0.62250(10) 0.62250(10) Biso 0.860000 Zr
CeZr 0.0090 0.62250(10) 0.62250(10) 0.62250(10) Biso 0.860000 Ce
O1 1.0 0.2729(8) 0.000000 0.000000 Biso 1.820000 O
O2 1.0 0.5400(10) 0.250000 0.250000 Biso 1.820000 O
O3 0.9400 0.000000 0.000000 0.000000 Biso 1.820000 O
O4 0.8730 0.500000 0.500000 0.500000 Biso 1.820000 O
O5 0.9900 0.250000 0.250000 0.250000 Biso 1.820000 O
O6 0.1900 0.750000 0.750000 0.750000 Biso 1.820000 O
