data_global _amcsd_formula_title 'B Fe14 H4.73 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 1008722 ; _database_code_amcsd 0016606 _chemical_formula_sum 'Nd2 Fe14 B H4.73' _cell_length_a 8.917 _cell_length_b 8.917 _cell_length_c 12.344 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 981.507 _exptl_crystal_density_diffrn 7.349 _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 0.14710 0.14710 0.00000 1.00000 Nd2 0.72210 0.27790 0.00000 1.00000 Fe1 0.00000 0.50000 0.00000 1.00000 Fe2 0.72690 0.06690 0.37090 1.00000 Fe3 0.46440 0.13740 0.32240 1.00000 Fe4 0.18300 0.18300 0.25480 1.00000 Fe5 0.40050 0.40050 0.29400 1.00000 Fe6 0.00000 0.00000 0.38330 1.00000 B1 0.37580 0.37580 0.00000 1.00000 H1 0.40170 0.40170 0.57580 0.24000 H2 0.43720 0.28900 0.59470 0.48000 H3 0.47170 0.17990 0.53830 0.49000 H4 0.50000 0.50000 0.61190 0.37000