data_global _amcsd_formula_title 'Li0.86 Mn1.14 N' loop_ _publ_author_name 'Niewa R' 'DiSalvo F' 'Yang D' 'Zax D' 'Luo H' 'Yelon W' _journal_name_full 'Journal of Alloys and Compounds' _journal_volume 266 _journal_year 1998 _journal_page_first 32 _journal_page_last 38 _publ_section_title ; Synthesis, crystal structure and properties of a lithium manganese nitride, (Li, Mn)2 N _cod_database_code 1005048 ; _database_code_amcsd 0012808 _chemical_formula_sum 'N (Mn1.142 Li.858)' _cell_length_a 4.69795 _cell_length_b 4.69795 _cell_length_c 2.96053 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 65.341 _exptl_crystal_density_diffrn 4.203 _symmetry_space_group_name_H-M 'P 42/m n m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,z' 'y,x,-z' '1/2+y,1/2-x,1/2-z' '1/2-y,1/2+x,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' 'x,y,-z' '-x,-y,z' 'y,x,z' '-y,-x,-z' '1/2-y,1/2+x,1/2-z' '1/2+y,1/2-x,1/2+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 _atom_site_occupancy N1 0.00000 0.00000 0.00000 1.00000 Mn1 0.29710 0.29710 0.00000 0.57100 Li1 0.29710 0.29710 0.00000 0.42900