data_global _chemical_name_mineral 'Chursinite' loop_ _publ_author_name 'Kamenar B' 'Kaitner B' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 29 _journal_year 1973 _journal_page_first 1666 _journal_page_last 1669 _publ_section_title ; The crystal structure of mercury(I) orthoarsenate ; _database_code_amcsd 0009483 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Hg3 As O4' _cell_length_a 8.73 _cell_length_b 5.08 _cell_length_c 15.64 _cell_angle_alpha 90 _cell_angle_beta 128.4 _cell_angle_gamma 90 _cell_volume 543.577 _exptl_crystal_density_diffrn 9.051 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+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 Hg1 0.12740 0.13120 0.08470 ? Hg2 0.19170 0.35000 -0.12550 ? Hg3 0.35520 0.64100 0.04160 ? As 0.68520 0.12190 0.22560 ? O1 0.14200 0.51200 0.28100 0.02837 O2 0.26000 0.52700 0.15300 0.03597 O3 0.53400 0.51300 0.37400 0.02761 O4 0.30000 0.97100 0.27300 0.03217 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 Hg1 0.02039 0.03347 0.02816 -0.00599 0.01105 -0.00946 Hg2 0.02039 0.03556 0.02512 0.00651 0.01317 0.00915 Hg3 0.02371 0.03726 0.03044 0.00599 0.01444 0.02934 As 0.01494 0.02340 0.01979 0.00018 0.00850 0.00000