data_global _chemical_name_mineral 'Aurivilliusite' loop_ _publ_author_name 'Stalhandske C' 'Aurivillius K' 'Bertinsson G I' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 41 _journal_year 1985 _journal_page_first 167 _journal_page_last 168 _publ_section_title ; Structure of mercury(I,II) iodide oxide, Hg2OI ; _database_code_amcsd 0019050 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Hg2 I O' _cell_length_a 17.603 _cell_length_b 6.981 _cell_length_c 6.701 _cell_angle_alpha 90 _cell_angle_beta 101.61 _cell_angle_gamma 90 _cell_volume 806.615 _exptl_crystal_density_diffrn 8.961 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Hg1 0.42663 0.33341 0.22195 0.02976 Hg2 0.24490 0.09588 0.21067 0.02394 I 0.11394 0.33246 0.32323 0.02951 O 0.30280 0.35770 0.15890 0.01862