data_global _amcsd_formula_title 'F3 H4 Mn N' loop_ _publ_author_name 'Rubin J' 'Palacios E' 'Bartolome J' 'Rodriguez-Carvajal J' _journal_name_full 'Journal of Physics: Condensed Matter' _journal_volume 7 _journal_year 1995 _journal_page_first 563 _journal_page_last 575 _publ_section_title ; A single-crystal neutron diffraction study of N H4 Mn F3 _cod_database_code 1006081 ; _database_code_amcsd 0013269 _chemical_formula_sum 'Mn N F3 H4.037' _cell_length_a 5.952 _cell_length_b 8.543 _cell_length_c 5.949 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 302.494 _exptl_crystal_density_diffrn 2.855 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-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 Mn1 0.00000 0.00000 0.00000 1.00000 N1 0.50000 0.25000 0.00000 1.00000 F1 0.27180 0.00690 0.76920 1.00000 F2 -0.01520 0.25000 0.02100 1.00000 H1 -0.03650 0.25000 0.34050 0.96250 H2 -0.00750 0.25000 0.67220 0.05000 H3 0.16910 0.25000 0.51380 1.01200 H4 -0.08780 0.33550 0.41200 0.05000 H5 -0.06440 0.35510 0.57710 0.96250