data_1008129 _chemical_name_systematic 'Tetradeuterioammonium bromide - III' _chemical_formula_structural 'N D4 Br' _chemical_formula_sum 'D4 Br N' _publ_section_title ; Neutron Diffraction Determination of the Crystal Structure of Ammonium Bromide in Four Phases ; loop_ _publ_author_name 'Levy, H A' 'Peterson, S W' _journal_name_full 'Journal of the American Chemical Society' _journal_coden_ASTM JACSAT _journal_volume 75 _journal_year 1953 _journal_page_first 1536 _journal_page_last 1542 _cell_length_a 5.826 _cell_length_b 5.826 _cell_length_c 4.136 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 140.4 _cell_formula_units_Z 2 _symmetry_space_group_name_H-M 'P 4/n m m S' _symmetry_Int_Tables_number 129 _symmetry_cell_setting tetragonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,z' '1/2+x,1/2+y,-z' '1/2-x,1/2-y,-z' '-x,y,z' 'x,-y,z' '1/2-x,1/2+y,-z' '1/2+x,1/2-y,-z' '-y,x,-z' 'y,-x,-z' '1/2-y,1/2+x,z' '1/2+y,1/2-x,z' 'y,x,-z' '-y,-x,-z' '1/2+y,1/2+x,z' '1/2-y,1/2-x,z' loop_ _atom_type_symbol _atom_type_oxidation_number N3- -3.000 Br1- -1.000 D1+ 1.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag N1 N3- 2 a 0. 0. 0. 1. 0 d Br1 Br1- 2 c 0. 0.5 0.47 1. 0 d D1 D1+ 8 i 0. 0.147 0.147 1. 0 d