#------------------------------------------------------------------------------ #$Date: 2016-03-26 18:22:14 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180424 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/20/93/7209377.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_7209377 loop_ _publ_author_name 'Naether, C.' 'Wu, Y.' 'Bensch, W.' _publ_section_title ; Low dimensional materials: syntheses structures, and optical properties of Rb2 Cu Ta S4, Rb2 Cu Ta Se4, Rb Cu2 Ta Se4, K3 Ag3 Ta2 Se8, and Rb3 Ag Ta2 Se12 ; _journal_name_full ; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) ; _journal_page_first 1006 _journal_page_last 1014 _journal_volume 59 _journal_year 2004 _chemical_formula_sum 'Ag3 K3 Se8 Ta2' _chemical_name_systematic 'K3 (Ag3 Ta2 Se8)' _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 119.7 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 25.137 _cell_length_b 6.1007 _cell_length_c 14.403 _cell_volume 1918.588 _citation_journal_id_ASTM ZNBSEN _cod_data_source_file silver3-x_50.cif _cod_data_source_block Ag3K3Se8Ta2 _cod_database_code 7209377 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 Se4 Se-2 0.09866 0.90378 0.39319 1 0.0 Se2 Se-2 0.04638 0.46993 0.14886 1 0.0 Ag2 Ag+1 0.12896 0.19462 0.29273 1 0.0 K2 K+1 0 0 0 1 0.0 Se3 Se-2 0.21712 0.48093 0.39951 1 0.0 Ag1 Ag+1 0 0.69089 0.25 1 0.0 Se1 Se-2 0.15976 0.92546 0.18115 1 0.0 K1 K+1 0.19436 0.4266 0.1074 1 0.0 Ta1 Ta+5 0.129199 0.6945 0.28229 1 0.0