data_1526427
_publ_section_title
;
 Crystal structure of metastable tetragonal zirconia up to 1473 K
;
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              1169
_journal_page_last               1171
_journal_volume                  84
_journal_year                    2001
_chemical_formula_sum            'O2 Zr'
_chemical_name_systematic        'Zr 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                   3.612
_cell_length_b                   3.612
_cell_length_c                   5.212
_cell_volume                     67.999
_citation_journal_id_ASTM        JACTAW
_cod_data_source_file            Igawa_JACTAW_2001_1129.cif
_cod_data_source_block           O2Zr1
_cod_cif_authors_sg_Hall         '-P 4ac 2a (x-1/4,y+1/4,z+1/4)'
_cod_original_cell_volume        67.99859
_cod_chemical_formula_sum_orig   'O2 Zr1'
_cod_database_code               1526427
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/2
-x,-y,z
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y,x,-z
-x+1/2,y+1/2,-z+1/2
-y,-x,-z
-x+1/2,-y+1/2,-z+1/2
y,-x,-z
x+1/2,y+1/2,-z+1/2
-y,x,-z
-x,y,z
-y+1/2,-x+1/2,z+1/2
x,-y,z
y+1/2,x+1/2,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
O1 O-2 0 0.5 0.201 1 0.0
Zr1 Zr+4 0 0 0 1 0.0
