data_global _amcsd_formula_title '(NH4)2HgCl2(NO3)2' loop_ _publ_author_name 'Nockemann P' 'Meyer G' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 58 _journal_year 2002 _journal_page_first i68 _journal_page_last i69 _publ_section_title ; Ammonium mercury(II) dichloride nitrate, (NH4)2HgCl2(NO3)2 ; _database_code_amcsd 0010381 _chemical_formula_sum 'Hg Cl2 O6 N4' _cell_length_a 15.5758 _cell_length_b 5.4976 _cell_length_c 11.2826 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 966.124 _exptl_crystal_density_diffrn 2.912 _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 Hg1 0.16981 0.75000 0.25566 0.02896 Cl1 0.14553 0.75000 0.05452 0.04010 Cl2 0.19354 0.75000 0.45760 0.04050 O1 0.20020 0.25000 0.25940 0.04660 O2 0.31904 0.05300 0.23960 0.03890 O3 0.01854 0.05450 0.31540 0.05300 O4 -0.00020 0.25000 0.15330 0.04610 N1 0.27990 0.25000 0.24620 0.02700 N2 0.01200 0.25000 0.26080 0.02730 N3 0.10480 0.25000 0.54740 0.03820 N4 0.42050 0.75000 0.40980 0.03780 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 0.03194 0.02901 0.02593 0.00000 -0.00203 0.00000 Cl1 0.05190 0.04180 0.02650 0.00000 -0.00670 0.00000 Cl2 0.05620 0.03980 0.02560 0.00000 -0.00280 0.00000 O1 0.02360 0.03200 0.08500 0.00000 0.00730 0.00000 O2 0.04010 0.03510 0.04150 0.01230 0.00120 -0.00100 O3 0.03970 0.05100 0.06800 -0.00050 0.00050 0.02850 O4 0.04500 0.06600 0.02700 0.00000 -0.00200 0.00000 N1 0.02900 0.02700 0.02500 0.00000 0.00250 0.00000 N2 0.02220 0.03000 0.03000 0.00000 -0.00120 0.00000 N3 0.05200 0.03300 0.02900 0.00000 -0.00400 0.00000 N4 0.04400 0.03200 0.03800 0.00000 -0.00780 0.00000