data_global _amcsd_formula_title 'HCl' loop_ _publ_author_name 'Sandor E' 'Farrow R F C' _journal_name_full 'Nature' _journal_volume 213 _journal_year 1967 _journal_page_first 171 _journal_page_last 172 _publ_section_title ; Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 77.4 K ; _database_code_amcsd 0018512 _chemical_compound_source 'synthetic, note this is the deuterated structure' _chemical_formula_sum 'H Cl' _cell_length_a 5.053 _cell_length_b 5.373 _cell_length_c 5.825 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 158.147 _exptl_crystal_density_diffrn 1.531 _symmetry_space_group_name_H-M 'B b 21 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,y,1/2+z' '-x,1/2+y,z' '1/2-x,1/2+y,1/2+z' 'x,y,-z' '1/2+x,y,1/2-z' '-x,1/2+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 H 0.08100 0.17000 0.00000 Cl 0.25000 0.00000 0.00000