#------------------------------------------------------------------------------ #$Date$ #$Revision$ #$URL$ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1200011 loop_ _publ_author_name 'Robinson, M T' _publ_section_title ; The crystal structures of $-beta-K~2~ S O~4~ and of $-beta K~2~ P O~3~ F ; _journal_coden_ASTM JPCHAX _journal_name_full 'Journal of Physical Chemistry' _journal_page_first 925 _journal_page_last 928 _journal_volume 62 _journal_year 1958 _chemical_formula_structural 'K2 S O4' _chemical_formula_sum 'K2 O4 S' _chemical_name_systematic 'Potassium sulfate - $-beta' _symmetry_cell_setting orthorhombic _symmetry_Int_Tables_number 62 _symmetry_space_group_name_H-M 'P n a m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.456(6) _cell_length_b 10.08(1) _cell_length_c 5.776(5) _cell_volume 434.1 _exptl_crystal_density_meas 2.62(0) _refine_ls_R_factor_all 0.095 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2+x,1/2-y,1/2-z -x,-y,1/2+z 1/2-x,1/2+y,-z -x,-y,-z 1/2-x,1/2+y,1/2+z x,y,1/2-z 1/2+x,1/2-y,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+ 4 c 0.1768(25) 0.0818(128) 0.25 1. 0 d K2 K1+ 4 c -0.0115(19) 0.7046(15) 0.25 1. 0 d S1 S6+ 4 c 0.2358(36) 0.4155(161) 0.25 1. 0 d O1 O2- 4 c 0.0315(74) 0.4032(87) 0.25 1. 0 d O2 O2- 4 c 0.2970(89) 0.5579(44) 0.25 1. 0 d O3 O2- 8 d 0.2997(46) 0.3484(28) 0.0410(41) 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number K1+ 1.000 S6+ 6.000 O2- -2.000