#------------------------------------------------------------------------------ #$Date: 2015-07-13 22:37:14 +0300 (Mon, 13 Jul 2015) $ #$Revision: 151025 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/85/1528588.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_1528588 loop_ _publ_author_name 'Howie, R.A.' 'Dent Glasser, L.S.' 'Moser, W.' _publ_section_title ; Nitrosodisulphonates. Part II. Crystal structure of the orange-brown triclinic modification of Fremy's salt (potassium nitrosodisulfonate) ; _journal_name_full ; Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971) ; _journal_page_first 3043 _journal_page_last 3047 _journal_volume 1968 _journal_year 1968 _chemical_formula_sum 'K4 N2 O14 S4' _chemical_name_systematic 'K4 ((S O3)2 (N O))2' _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 105 _cell_angle_beta 82 _cell_angle_gamma 113 _cell_formula_units_Z 1 _cell_length_a 7.45 _cell_length_b 7.14 _cell_length_c 7.16 _cell_volume 338.329 _citation_journal_id_ASTM JCSIAP _cod_data_source_file Howie_JCSIAP_1968_339.cif _cod_data_source_block K4N2O14S4 _cod_original_cell_volume 338.3292 _cod_database_code 1528588 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv O7 O-2 0.109 0.159 0.822 1 0.0 O6 O-2 0.224 0.15 0.494 1 0.0 S2 S+4 0.172 0.259 0.655 1 0.0 N1 N+4 0.383 0.464 0.699 1 0.0 S1 S+4 0.375 0.689 0.825 1 0.0 O5 O-2 0.336 0.792 0.693 1 0.0 O1 O-2 0.549 0.444 0.677 1 0.0 O4 O-2 0.557 0.785 0.895 1 0.0 O2 O-2 0.218 0.609 0.956 1 0.0 K2 K+1 0.663 0.146 0.692 1 0.0 K1 K+1 0.076 0.278 0.193 1 0.0 O3 O-2 0.049 0.354 0.592 1 0.0