data_global _amcsd_formula_title 'Fe17 N2.6 Nd2' loop_ _publ_author_name 'Miraglia S' 'Soubeyroux J' 'Kolbeck C' 'Isnard O' 'Fruchart D' 'Guillot M' _journal_name_full 'Journal of the Less-Common Metals' _journal_volume 171 _journal_year 1991 _journal_page_first 51 _journal_page_last 61 _publ_section_title ; Structural and magnetic properties of ternary nitrides R2 Fe17 Nx (R=Nd, Sm) _cod_database_code 1008875 ; _database_code_amcsd 0016742 _chemical_formula_sum 'Nd2 Fe17 N2.58' _cell_length_a 8.776 _cell_length_b 8.776 _cell_length_c 12.661 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 844.485 _exptl_crystal_density_diffrn 7.515 _symmetry_space_group_name_H-M 'R -3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' 'y,x,-z' '2/3+y,1/3+x,1/3-z' '1/3+y,2/3+x,2/3-z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-x,-x+y,-z' '2/3-x,1/3-x+y,1/3-z' '1/3-x,2/3-x+y,2/3-z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' 'x-y,-y,-z' '2/3+x-y,1/3-y,1/3-z' '1/3+x-y,2/3-y,2/3-z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nd1 0.00000 0.00000 0.34450 1.00000 Fe1 0.00000 0.00000 0.09520 1.00000 Fe2 0.50000 0.00000 0.50000 1.00000 Fe3 0.28080 0.00000 0.00000 1.00000 Fe4 0.50600 0.49400 0.15290 1.00000 N1 0.50000 0.00000 0.00000 0.86000