#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9007569.cif $ #------------------------------------------------------------------------------ # # 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_9007569 _chemical_name 'Arcanite' loop_ _publ_author_name 'McGinnety J A' _journal_name_full "Acta Crystallographica, Section B" _journal_volume 28 _journal_year 1972 _journal_page_first 2845 _journal_page_last 2852 _publ_section_title ; Redetermination of the structures of potassium sulphate and potassium chromate: the effect of electrostatic crystal forces upon observed bond length ; _chemical_formula_sum 'K2 S O4' _cell_length_a 7.476 _cell_length_b 10.071 _cell_length_c 5.763 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 433.901 _symmetry_space_group_name_H-M 'P n a m' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z K1 0.67377 0.41062 0.25000 K2 -0.01104 0.70406 0.25000 S 0.23298 0.41971 0.25000 O1 0.03790 0.41660 0.25000 O2 0.29630 0.55820 0.25000 O3 0.30090 0.35220 0.04120