data_global _amcsd_formula_title 'Zn(NH3)2Br2' loop_ _publ_author_name 'MacGillavry C' 'Bijvoet J' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 94 _journal_year 1936 _journal_page_first 249 _journal_page_last 255 _publ_section_title ; Die Kristallstrukturen von Zn(NH3)2Cl2 und Zn(NH3)2Br2 _cod_database_code 1010198 ; _database_code_amcsd 0017134 _chemical_formula_sum 'Zn Br2 N2' _cell_length_a 8.12 _cell_length_b 8.81 _cell_length_c 8.41 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 601.628 _exptl_crystal_density_diffrn 2.796 _symmetry_space_group_name_H-M 'I m a m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'x,y,1/2-z' '1/2+x,1/2+y,-z' '-x,-y,1/2+z' '1/2-x,1/2-y,+z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' 'x,-y,1/2+z' '1/2+x,1/2-y,+z' '-x,y,1/2-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Zn1 0.00000 0.38300 0.25000 Br1 0.00000 0.23100 0.01600 N1 0.22000 0.52000 0.25000