data_1000049 loop_ _publ_author_name 'Miyake, M' 'Morikawa, H' 'Iwai, S I' _publ_section_title ; Structure Reinvestigation of the High-Temperature Form of K~2~ S O~4~ ; _journal_coden_ASTM ACBCAR _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 532 _journal_page_last 536 _journal_volume 36 _journal_year 1980 _chemical_formula_structural 'K2 S O4' _chemical_formula_sum 'K2 O4 S' _chemical_name_systematic 'Potassium sulfate - high-temperature phase' _symmetry_cell_setting hexagonal _symmetry_Int_Tables_number 194 _symmetry_space_group_name_H-M 'P 63/m m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 5.947(2) _cell_length_b 5.947(2) _cell_length_c 8.375(3) _cell_volume 256.5 _exptl_crystal_density_meas 2.26 _refine_ls_R_factor_all 0.086 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z y-x,-x,z -y,-x,z y-x,y,z x,x-y,z -x,-y,-z y,y-x,-z x-y,x,-z y,x,-z x-y,-y,-z -x,y-x,-z -x,-y,1/2+z y,y-x,1/2+z x-y,x,1/2+z y,x,1/2+z x-y,-y,1/2+z -x,y-x,1/2+z x,y,1/2-z -y,x-y,1/2-z y-x,-x,1/2-z -y,-x,1/2-z y-x,y,1/2-z x,x-y,1/2-z loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag K1 K1+ 2 a 0. 0. 0. 1. 0 d K2 K1+ 2 d 0.6667 0.3333 0.25 1. 0 d S1 S6+ 2 c 0.3333 0.6667 0.25 1. 0 d O1 O2- 4 f 0.3333 0.6667 0.410(5) 1. 0 d O2 O2- 12 k 0.212(2) -0.212(2) 0.188(3) 0.333 0 d loop_ _atom_type_symbol _atom_type_oxidation_number K1+ 1.000 S6+ 6.000 O2- -2.000