data_global _chemical_name_mineral 'Montroydite' loop_ _publ_author_name 'Aurivillius K' _journal_name_full 'Acta Chemica Scandinavica' _journal_volume 18 _journal_year 1964 _journal_page_first 1305 _journal_page_last 1306 _publ_section_title ; Least-squares refinement of the crystal structures of orthorhombic HgO and of Hg2O2NaI ; _database_code_amcsd 0011897 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Hg O' _cell_length_a 6.6129 _cell_length_b 5.5208 _cell_length_c 3.5219 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 128.579 _exptl_crystal_density_diffrn 11.189 _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 _atom_site_U_iso_or_equiv Hg 0.11360 0.25000 0.24560 0.01520 O 0.35920 0.25000 0.59550 0.01862