#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/04/1540416.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_1540416
loop_
_publ_author_name
'Yashima, M.'
'Hirose, T.'
'Katano, S.'
'Suzuki, Y.'
'Kakihana, M.'
'Yoshimura, M.'
_publ_section_title
;
 Structural changes of ZrO₂-CeO₂ solid solutions around the
 monoclinic-tetragonal phase boundary
;
_journal_issue                   13
_journal_name_full               'Physical Review B'
_journal_page_first              8434
_journal_page_last               8437
_journal_paper_doi               10.1103/PhysRevB.51.8018
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Ce0.15 O2 Zr0.85'
_chemical_name_systematic        'Zr0.85 Ce0.15 O2'
_space_group_IT_number           137
_symmetry_space_group_name_Hall  'P 4n 2n -1n'
_symmetry_space_group_name_H-M   'P 42/n m c :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.63249(5)
_cell_length_b                   3.63249(5)
_cell_length_c                   5.22879(9)
_cell_volume                     68.9938(18)
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            ZrCeO2.cif
_cod_data_source_block           Zr0.85Ce0.15O2
_cod_original_cell_volume        68.991
_cod_original_sg_symbol_H-M      'P 42/n m c '
_cod_original_formula_sum        'Zr0.85 Ce0.15 O2'
_cod_database_code               1540416
loop_
_symmetry_equiv_pos_as_xyz
-y+1/2,-x+1/2,z+1/2
y+1/2,x+1/2,z+1/2
-y,-x,-z
y,x,-z
y+1/2,-x+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
y,-x,-z
-y,x,-z
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
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,-y,z
x,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_B_iso_or_equiv
Zr1 Zr+4 0 0 0 0.85 0.4
Ce1 Ce+4 0 0 0 0.15 0.4
O1 O-2 4 0.5 0.2054(2) 1.0 0.74
