#------------------------------------------------------------------------------ #$Date: 2022-09-14 18:07:06 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277832 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/02/1010272.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_1010272 loop_ _publ_author_name 'Zintl, E' 'Loosen, K' _publ_section_title ; Siliciumdisulfid, ein anorganischer Faserstoff mit Kettenmolekuelen. ; _journal_coden_ASTM ZPCAAI _journal_name_full ; Zeitschrift fuer Physikalische Chemie, Abteilung A: Chemische Thermodynamik, Kinetik, Elektrochemie, Eigenschaftslehre ; _journal_page_first 301 _journal_page_last 311 _journal_volume 174 _journal_year 1935 _chemical_formula_structural 'Si S2' _chemical_formula_sum 'S2 Si' _chemical_name_systematic 'Silicon catena-sulfide' _symmetry_cell_setting orthorhombic _symmetry_Int_Tables_number 72 _symmetry_space_group_name_H-M 'I c m a S' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.6 _cell_length_b 5.53 _cell_length_c 9.55 _cell_volume 295.7 _exptl_crystal_density_meas 2.02 _cod_database_code 1010272 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z -x,-y,z x,-y,-z -x,1/2-y,-z x,1/2-y,z x,1/2+y,-z -x,1/2+y,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,1/2+z 1/2+x,1/2-y,1/2-z 1/2-x,-y,1/2-z 1/2+x,-y,1/2+z 1/2+x,y,1/2-z 1/2-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 Si1 Si4+ 4 c 0. 0. 0. 1. 0 d S1 S2- 8 j 0.208 0.25 0.119 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Si4+ 4.000 S2- -2.000