data_global _amcsd_formula_title 'B Fe14 H3.31 Nd2' loop_ _publ_author_name 'Isnard O' 'Yelon W' 'Miraglia S' 'Fruchart D' _journal_name_full 'Journal of Applied Physics' _journal_volume 78 _journal_year 1995 _journal_page_first 1892 _journal_page_last 1898 _publ_section_title ; Neutron-diffraction study of the insertion scheme of hydrogen in Nd2Fe14 B _cod_database_code 1008721 ; _database_code_amcsd 0016605 _chemical_formula_sum 'Nd2 Fe14 B H3.31' _cell_length_a 8.906 _cell_length_b 8.906 _cell_length_c 12.327 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 977.739 _exptl_crystal_density_diffrn 7.367 _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 Nd1 0.14530 0.14530 0.00000 1.00000 Nd2 0.72520 0.27480 0.00000 1.00000 Fe1 0.00000 0.50000 0.00000 1.00000 Fe2 0.72540 0.06760 0.37120 1.00000 Fe3 0.46320 0.13800 0.32360 1.00000 Fe4 0.18160 0.18160 0.25480 1.00000 Fe5 0.40030 0.40030 0.29380 1.00000 Fe6 0.00000 0.00000 0.38410 1.00000 B1 0.37670 0.37670 0.00000 1.00000 H1 0.39960 0.39960 0.57330 0.39000 H2 0.43800 0.29700 0.59820 0.38000 H3 0.47060 0.17900 0.53690 0.23000 H4 0.50000 0.50000 0.61530 0.09000