data_global _amcsd_formula_title 'S4N4' loop_ _publ_author_name 'LeLucia M L' 'Coppens P' _journal_name_full 'Inorganic Chemistry' _journal_volume 17 _journal_year 1978 _journal_page_first 2336 _journal_page_last 2338 _publ_section_title ; Crystal structure of tetrasulfur tetranitride (S4N4) at 120 K Note: T = 120 K ; _database_code_amcsd 0012686 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'S N' _cell_length_a 8.752 _cell_length_b 7.084 _cell_length_c 8.629 _cell_angle_alpha 90 _cell_angle_beta 93.68 _cell_angle_gamma 90 _cell_volume 533.888 _exptl_crystal_density_diffrn 2.293 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-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 S1 0.00514 0.92167 0.30433 S2 0.15149 0.70853 0.09900 S3 -0.14966 0.79887 0.05795 S4 -0.04076 0.54600 0.27272 N1 0.01000 0.76410 -0.02450 N2 -0.02720 0.72300 0.39150 N3 -0.18180 0.60350 0.14810 N4 0.16410 0.88430 0.21930 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 S1 0.01840 0.02560 0.01980 0.00000 0.00110 -0.00950 S2 0.01210 0.01970 0.01680 0.00230 0.00100 -0.00130 S3 0.01240 0.02010 0.01840 0.00230 -0.00090 -0.00040 S4 0.02060 0.02370 0.01750 -0.00120 0.00150 0.00390 N1 0.01730 0.02070 0.01350 0.00340 0.00090 0.00010 N2 0.02430 0.03550 0.01400 0.00110 0.00250 -0.00250 N3 0.01410 0.02310 0.02210 -0.00330 0.00010 0.00070 N4 0.01450 0.02290 0.02380 -0.00250 -0.00020 -0.00560