#------------------------------------------------------------------------------ #$Date: 2015-09-04 18:32:26 +0300 (Fri, 04 Sep 2015) $ #$Revision: 154190 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/96/1529690.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_1529690 loop_ _publ_author_name 'Bronger, W.' 'Spangenberg, M.' _publ_section_title ; Na2 Re3 S6 und K2 Re3 S6, zwei Thiorhenate mit (Re6 S8) - Clustern ; _journal_name_full 'Journal of the Less-Common Metals' _journal_page_first 73 _journal_page_last 79 _journal_volume 76 _journal_year 1980 _chemical_formula_sum 'Na2 Re3 S6' _chemical_name_systematic 'Na2 (Re3 S6)' _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 92.41 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 15.83 _cell_length_b 9.582 _cell_length_c 11.472 _cell_volume 1738.569 _citation_journal_id_ASTM JCOMAH _cod_data_source_file Bronger_JCOMAH_1980_590.cif _cod_data_source_block Na2Re3S6 _cod_database_code 1529690 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 Re3 Re+3 0.2028 0.3969 0.4149 1 0.0 Re1 Re+3 0.1554 0.1455 0.4676 1 0.0 Na1 Na+1 0 0.425 0.25 1 0.0 S5 S-1 0.0293 0.992 0.9199 1 0.0 Re2 Re+3 0.2972 0.1822 0.3666 1 0.0 S4 S-2 0.4256 0.151 0.4862 1 0.0 Na2 Na+1 0 0.789 0.25 1 0.0 S6 S-2 0.3648 0.097 0.1907 1 0.0 S2 S-2 0.2501 0.455 0.0752 1 0.0 S3 S-2 0.3387 0.271 0.7309 1 0.0 Na3 Na+1 0.378 0.271 0.989 1 0.0 S1 S-2 0.1617 0.081 0.6672 1 0.0