#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/57/1525706.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_1525706
loop_
_publ_author_name
'Bouvier, P.'
'Djurado, E.'
'Lucazeau, G.'
'Le Bihan, T.'
_publ_section_title
;
 High-pressure structural evolution of undoped tetragonal nanocrystalline
 zirconia
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              8731
_journal_page_last               8737
_journal_volume                  62
_journal_year                    2000
_chemical_formula_sum            'O2 Zr'
_chemical_name_systematic        'Zr O2'
_space_group_IT_number           137
_symmetry_space_group_name_Hall  '-P 4ac 2a'
_symmetry_space_group_name_H-M   'P 42/n m c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.5948
_cell_length_b                   3.5948
_cell_length_c                   5.1824
_cell_volume                     66.970
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Bouvier_PRBMDO_2000_497.cif
_cod_data_source_block           O2Zr1
_cod_original_cell_volume        66.97002
_cod_original_formula_sum        'O2 Zr1'
_cod_database_code               1525706
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z+1/2
-x+1/2,-y+1/2,z
y,-x+1/2,z+1/2
x+1/2,-y,-z
y+1/2,x+1/2,-z+1/2
-x,y+1/2,-z
-y,-x,-z+1/2
-x,-y,-z
y-1/2,-x,-z-1/2
x-1/2,y-1/2,-z
-y,x-1/2,-z-1/2
-x-1/2,y,z
-y-1/2,-x-1/2,z-1/2
x,-y-1/2,z
y,x,z-1/2
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
Zr1 Zr+4 0.25 0.75 0.25 1 0.0
O1 O-2 0.25 0.25 0.057 1 0.0
