#------------------------------------------------------------------------------ #$Date: 2013-05-02 17:56:48 +0300 (Thu, 02 May 2013) $ #$Revision: 83888 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/06/1510648.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_1510648 loop_ _publ_author_name 'Puettmann, C.' 'Kueper, J.' 'Krebs, B.' 'Jansen, C.' 'Hammerschmidt, A.' _publ_section_title ; Cs2 B2 S4 - Ein Salz der dimeren Metathioborsaeure ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 1330 _journal_page_last 1337 _journal_volume 621 _journal_year 1995 _chemical_formula_sum 'B2 Cs2 S4' _chemical_name_systematic 'Cs2 (B2 S4)' _space_group_IT_number 142 _symmetry_space_group_name_Hall '-I 4bd 2c' _symmetry_space_group_name_H-M 'I 41/a c d :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 7.27 _cell_length_b 7.27 _cell_length_c 35.737 _cell_volume 1888.804 _citation_journal_id_ASTM ZAACAB _[local]_cod_data_source_file boron_130.cif _[local]_cod_data_source_block B2Cs2S4 _cod_database_code 1510648 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/4,x+3/4,z+1/4 -x+1/2,-y,z+1/2 y+1/4,-x+1/4,z+3/4 x,-y,-z+1/2 y+1/4,x+3/4,-z+3/4 -x+1/2,y,-z -y+1/4,-x+1/4,-z+1/4 -x,-y,-z y-1/4,-x-3/4,-z-1/4 x-1/2,y,-z-1/2 -y-1/4,x-1/4,-z-3/4 -x,y,z-1/2 -y-1/4,-x-3/4,z-3/4 x-1/2,-y,z y-1/4,x-1/4,z-1/4 x+1/2,y+1/2,z+1/2 -y+3/4,x+5/4,z+3/4 -x+1,-y+1/2,z+1 y+3/4,-x+3/4,z+5/4 x+1/2,-y+1/2,-z+1 y+3/4,x+5/4,-z+5/4 -x+1,y+1/2,-z+1/2 -y+3/4,-x+3/4,-z+3/4 -x+1/2,-y+1/2,-z+1/2 y+1/4,-x-1/4,-z+1/4 x,y+1/2,-z -y+1/4,x+1/4,-z-1/4 -x+1/2,y+1/2,z -y+1/4,-x-1/4,z-1/4 x,-y+1/2,z+1/2 y+1/4,x+1/4,z+1/4 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 Cs1 Cs+1 0.5 0.25 0.05476 1 0.0 S2 S-2 0.1396 0.3896 0.125 0.752 0.0 B1 B+3 0 0.25 0.0919 1 0.0 S3 S-2 0.1396 0.1104 0.125 0.248 0.0 S1 S-2 0 0.25 0.04316 1 0.0