data_global _amcsd_formula_title 'AsO2' loop_ _publ_author_name 'Jones P G' 'Beesk W' 'Sheldrick G M' 'Schwarzmann E' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 36 _journal_year 1980 _journal_page_first 439 _journal_page_last 440 _publ_section_title ; Arsenic dioxide ; _database_code_amcsd 0009702 _chemical_formula_sum 'As O2' _cell_length_a 8.597 _cell_length_b 5.235 _cell_length_c 7.269 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 327.143 _exptl_crystal_density_diffrn 4.342 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z As1 0.07380 0.25000 0.17310 As2 0.26470 0.25000 -0.19650 O1 0.09000 -0.00500 0.31960 O2 0.24650 0.25000 0.05270 O3 -0.08840 0.25000 0.06200 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 As1 0.02200 0.02100 0.02200 0.00000 0.00000 0.00000 As2 0.02300 0.02300 0.02300 0.00000 -0.00200 0.00000 O1 0.02900 0.02100 0.02800 0.00200 0.00400 0.00300 O2 0.02600 0.02700 0.02600 0.00000 0.00500 0.00000 O3 0.03000 0.03700 0.03200 0.00000 -0.00500 0.00000