data_global _amcsd_formula_title 'H2 Li2 O5 S' loop_ _publ_author_name 'Smith H' 'Peterson S' 'Levy H' _journal_name_full 'Journal of Chemical Physics' _journal_volume 48 _journal_year 1968 _journal_page_first 5561 _journal_page_last 5565 _publ_section_title ; Neutron-diffraction study of lithium sulfate monohydrate _cod_database_code 1008190 ; _database_code_amcsd 0016127 _chemical_formula_sum 'Li2 S O5 H2' _cell_length_a 5.4537 _cell_length_b 4.857 _cell_length_c 8.1734 _cell_angle_alpha 90 _cell_angle_beta 107.367 _cell_angle_gamma 90 _cell_volume 206.632 _exptl_crystal_density_diffrn 2.057 _symmetry_space_group_name_H-M 'P 1 21 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Li1 0.30330 0.49690 0.99380 Li2 0.56090 0.48660 0.39430 S1 0.29240 0.00000 0.20780 O1 0.02200 0.07100 0.17030 O2 0.43380 0.11390 0.37830 O3 0.39970 0.12300 0.07830 O4 0.33100 0.70140 0.21040 O5 0.91270 0.47200 0.39700 H1 0.96730 0.39080 0.30820 H2 0.00450 0.62960 0.43660