data_2005680 _journal_name_full 'Acta Crystallographica' _journal_year 1996 _journal_volume C52 _journal_page_first 2665 _journal_page_last 2668 _publ_section_title ; Reinvestigation of Crystalline Sulfuric Acid and Oxonium Hydrogensulfate ; _chemical_formula_iupac 'H2 S O4' _chemical_formula_sum 'H2 O4 S1' _chemical_formula_structural 'H2 S O4' _chemical_formula_weight 98.08 _symmetry_cell_setting 'monoclinic' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _symmetry_space_group_name_H-M 'C 2/c' _cell_length_a 8.181(2) _cell_length_b 4.6960(10) _cell_length_c 8.563(2) _cell_angle_alpha 90. _cell_angle_beta 111.39(3) _cell_angle_gamma 90. _cell_volume 306.31(12) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 2.127 _cell_measurement_temperature 113(2) loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv S 1 0 0.07450(9) 0.25 0.0097(2) O1 1 -0.15928(13) -0.0822(2) 0.17792(13) 0.0173(2) O2 1 0.00920(13) 0.2733(2) 0.11080(12) 0.0157(2) H 1 0.0883(35) 0.3275(53) 0.1281(30) 0.035(7)