#------------------------------------------------------------------------------ #$Date: 2015-07-13 07:18:35 +0300 (Mon, 13 Jul 2015) $ #$Revision: 149995 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/22/13/7221380.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_7221380 loop_ _publ_author_name 'Steudel, R.' 'Steidel, J.' 'Rautenberg, N.' _publ_section_title ; Roentgenstrukturanalyse und Schwingungsspektren von Trischwefeldistickstoffdioxid, S3 N2 O2 (1) ; _journal_name_full ; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) ; _journal_page_first 792 _journal_page_last 796 _journal_volume 35 _journal_year 1980 _chemical_formula_sum 'N2 O2 S3' _chemical_name_systematic 'S (N S O)2' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 97.31 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 16.329 _cell_length_b 4.518 _cell_length_c 6.629 _cell_volume 485.076 _citation_journal_id_ASTM ZNBAD2 _cod_data_source_file Steudel_ZNBAD2_1980_988.cif _cod_data_source_block N2O2S3 _cod_original_cell_volume 485.0758 _cod_database_code 7221380 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z+1/2 -x,-y,-z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,-y+1/2,z-1/2 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 S2 S+4 0.1538 0.7247 0.1316 1 0.0 N1 N-3 0.0696 0.637 0.1926 1 0.0 O1 O-2 0.1727 1.0412 0.1234 1 0.0 S1 S+2 0 0.8795 0.25 1 0.0