data_global _amcsd_formula_title 'N0.61 Ti' loop_ _publ_author_name 'Nagakura S' 'Kusunoki T' _journal_name_full 'Journal of Applied Crystallography' _journal_volume 10 _journal_year 1977 _journal_page_first 52 _journal_page_last 56 _publ_section_title ; Structure of Ti Nx studied by electron diffraction and microscopy _cod_database_code 1100041 ; _database_code_amcsd 0018232 _chemical_formula_sum 'Ti N.61' _cell_length_a 4.198 _cell_length_b 4.198 _cell_length_c 8.591 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 151.401 _exptl_crystal_density_diffrn 4.951 _symmetry_space_group_name_H-M 'I 41/a m d' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-y,1/2-x,1/4+z' '1/2-y,-x,3/4+z' '1/2+y,1/2+x,1/2-z' '+y,+x,-z' '1/2+y,1/2-x,1/2-z' '+y,-x,-z' '-y,1/2+x,1/4+z' '1/2-y,+x,3/4+z' '1/2+x,1/2-y,1/2+z' '+x,-y,+z' '1/2-x,y,3/4-z' '-x,1/2+y,1/4-z' '1/2+x,y,3/4-z' '+x,1/2+y,1/4-z' '1/2-x,1/2-y,1/2+z' '-x,-y,+z' '1/2+y,x,3/4+z' '+y,1/2+x,1/4+z' '-y,-x,-z' '1/2-y,1/2-x,1/2-z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' '1/2+y,-x,3/4+z' '+y,1/2-x,1/4+z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,1/2-y,1/4-z' '1/2+x,-y,3/4-z' '-x,1/2-y,1/4-z' '1/2-x,-y,3/4-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti1 0.00000 0.00000 0.26800 1.00000 N1 0.00000 0.00000 0.00000 1.00000 N2 0.00000 0.00000 0.50000 0.22000