data_global _amcsd_formula_title 'K2SO4' loop_ _publ_author_name 'Ojima K' 'Nishihata Y' 'Sawada A' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 51 _journal_year 1995 _journal_page_first 287 _journal_page_last 293 _publ_section_title ; Structure of potassium sulfate at temperatures from 296K down to 15K _cod_database_code 1200012 ; _database_code_amcsd 0018288 _chemical_formula_sum 'K2 S O4' _cell_length_a 5.7704 _cell_length_b 10.0712 _cell_length_c 7.4776 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 434.560 _exptl_crystal_density_diffrn 2.664 _symmetry_space_group_name_H-M 'P m c n' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,y,z' '1/2+x,-y,-z' '1/2+x,1/2+y,1/2-z' '1/2-x,1/2-y,1/2+z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z K1 0.25000 0.08935 0.17398 K2 0.25000 0.79550 0.48915 S1 0.25000 0.41985 0.23295 O1 0.25000 0.41620 0.03680 O2 0.25000 0.55850 0.29760 O3 0.04120 0.35220 0.30170 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 K1 0.01690 0.01970 0.01640 0.00000 0.00000 0.00060 K2 0.01850 0.01500 0.01320 0.00000 0.00000 -0.00050 S1 0.01010 0.00950 0.01010 0.00000 0.00000 -0.00050 O1 0.03820 0.03180 0.00890 0.00000 0.00000 -0.00190 O2 0.02540 0.01200 0.02100 0.00000 0.00000 -0.00440 O3 0.01400 0.02270 0.02980 -0.00630 0.00320 0.00520