data_global _chemical_name_mineral 'Nitrogen' loop_ _publ_author_name 'Cromer D T' 'Mills R L' 'Schiferl D' 'Schwalbe L A' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 37 _journal_year 1981 _journal_page_first 8 _journal_page_last 11 _publ_section_title ; The structure of N2 at 49 kbar and 299 K Sample: at T = 299 K and P = 4.9 GPa Note: model #4 ; _database_code_amcsd 0009728 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'N.25' _cell_length_a 6.164 _cell_length_b 6.164 _cell_length_c 6.164 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 234.201 _exptl_crystal_density_diffrn 1.589 _symmetry_space_group_name_H-M 'P m 3 n' loop_ _space_group_symop_operation_xyz 'x,y,z' 'z,-x,y' '-y,z,-x' 'x,-y,z' '-z,x,-y' 'y,-z,x' '-x,y,-z' '1/2+x,1/2-z,1/2-y' '1/2-z,1/2+y,1/2+x' '1/2+y,1/2-x,1/2-z' '1/2-x,1/2+z,1/2+y' '1/2+z,1/2-y,1/2-x' '1/2-y,1/2+x,1/2+z' '1/2+x,1/2+z,1/2+y' '1/2-z,1/2-y,1/2-x' '1/2+y,1/2+x,1/2+z' '1/2-x,1/2-z,1/2-y' '1/2+z,1/2+y,1/2+x' '1/2-y,1/2-x,1/2-z' 'z,x,-y' '-y,-z,x' 'x,y,-z' '-z,-x,y' 'y,z,-x' '-x,-y,z' '-z,x,y' 'y,-z,-x' '-x,y,z' 'z,-x,-y' '-y,z,x' 'x,-y,-z' '1/2-x,1/2+z,1/2-y' '1/2+z,1/2-y,1/2+x' '1/2-y,1/2+x,1/2-z' '1/2+x,1/2-z,1/2+y' '1/2-z,1/2+y,1/2-x' '1/2+y,1/2-x,1/2+z' '1/2-x,1/2-z,1/2+y' '1/2+z,1/2+y,1/2-x' '1/2-y,1/2-x,1/2+z' '1/2+x,1/2+z,1/2-y' '1/2-z,1/2-y,1/2+x' '1/2+y,1/2+x,1/2-z' '-z,-x,-y' 'y,z,x' '-x,-y,-z' 'z,x,y' '-y,-z,-x' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv N1 0.04200 0.04200 0.04200 0.25000 0.09246 N2 0.23900 0.53100 0.08000 0.25000 0.06586