data_global _chemical_name_mineral 'Downeyite' loop_ _publ_author_name 'Stahl K' 'Legros J P' 'Galy J' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 202 _journal_year 1992 _journal_page_first 99 _journal_page_last 107 _publ_section_title ; The crystal structure of SeO2 at 139 and 286 K Note: T = 286 K ; _database_code_amcsd 0011028 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Se O2' _cell_length_a 8.3622 _cell_length_b 8.3622 _cell_length_c 5.0612 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 353.911 _exptl_crystal_density_diffrn 4.165 _symmetry_space_group_name_H-M 'P 42/m b c' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,1/2+z' '1/2+y,1/2+x,1/2-z' 'y,-x,1/2-z' '-y,x,1/2+z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' 'x,y,-z' '-x,-y,z' '1/2+y,1/2+x,1/2+z' '1/2-y,1/2-x,1/2-z' '-y,x,1/2-z' 'y,-x,1/2+z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Se 0.13374 0.21019 0.00000 0.01203 O1 0.13802 0.36198 0.25000 0.01710 O2 -0.05710 0.17507 0.00000 0.02064 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Se 0.01197 0.01417 0.00999 0.00046 0.00000 0.00000 O1 0.02037 0.02037 0.01049 0.00595 0.00279 0.00279 O2 0.01350 0.02568 0.02263 -0.00340 0.00000 0.00000