data_global _chemical_name_mineral 'Baddeleyite' loop_ _publ_author_name 'Kisi E H' 'Howard C J' 'Hill R J' _journal_name_full 'Journal of the American Ceramic Society' _journal_volume 72 _journal_year 1989 _journal_page_first 1757 _journal_page_last 1760 _publ_section_title ; Crystal structure of orthorhombic zirconia in partially stabilized zirconia Note: distorted polymorph of baddeleyite ; _database_code_amcsd 0014064 _chemical_formula_sum 'Zr O2' _cell_length_a 5.068 _cell_length_b 5.260 _cell_length_c 5.077 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 135.341 _exptl_crystal_density_diffrn 6.047 _symmetry_space_group_name_H-M 'P b c 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,z' 'x,1/2-y,1/2+z' '-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Zr 0.26700 0.03000 0.25000 0.00507 O1 0.06800 0.36100 0.10600 0.01013 O2 0.53700 0.22900 0.00000 0.00253