
#(C) 2024 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_162786-ICSD
_database_code_ICSD 162786
_audit_creation_date 2009-08-01
_chemical_name_common 'Cerium zirconium oxide (0.1/0.9/2) - nanocrystalline'
_chemical_formula_structural '(Ce0.1 Zr0.9) O2'
_chemical_formula_sum 'Ce0.1 O2 Zr0.9'
_chemical_name_structure_type Zirconia#ZrO2(t-phase)
_exptl_crystal_density_diffrn 6.23
_diffrn_ambient_temperature 293.
_citation_title

;
Synthesis of nanocrystalline Ce O2 - Zr O2 solid solutions by a citrate
complexation route: a thermochemical and structural study
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Physical Chemistry C' 2009 113 914 924 JPCCCK
loop_
_citation_author_citation_id
_citation_author_name
primary 'Fuentes, R.O.'
primary 'Baker, R.T.'
_cell_length_a 3.6239
_cell_length_b 3.6239
_cell_length_c 5.2001
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 68.29
_cell_formula_units_Z 2
_space_group_name_H-M_alt 'P 42/n m c Z'
_space_group_IT_number 137
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'y+1/2, x+1/2, -z+1/2'
2 '-y, x+1/2, -z+1/2'
3 'y+1/2, -x, -z+1/2'
4 '-y, -x, -z+1/2'
5 'x+1/2, y+1/2, -z'
6 '-x, y+1/2, -z'
7 'x+1/2, -y, -z'
8 '-x, -y, -z'
9 '-y+1/2, -x+1/2, z+1/2'
10 'y, -x+1/2, z+1/2'
11 '-y+1/2, x, z+1/2'
12 'y, x, z+1/2'
13 '-x+1/2, -y+1/2, z'
14 'x, -y+1/2, z'
15 '-x+1/2, y, z'
16 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ce4+ 4
Zr4+ 4
O2- -2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
Ce1 Ce4+ 2 b 0.75 0.25 0.25 . 0.1
Zr1 Zr4+ 2 b 0.75 0.25 0.25 . 0.9
O1 O2- 4 d 0.25 0.25 0.052 . 1.
#End of TTdata_162786-ICSD