#------------------------------------------------------------------------------ #$Date: 2015-07-12 17:30:24 +0300 (Sun, 12 Jul 2015) $ #$Revision: 146817 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/34/37/4343707.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_4343707 loop_ _publ_author_name 'Chi Lisheng' 'Corbett, J.D.' _publ_section_title ; K6 Tl2 Sb3, a Zintl phase with a novel heteroatomic (1-infty)(Tl4 Sb6)(12-) chain ; _journal_name_full 'Inorganic Chemistry' _journal_page_first 2705 _journal_page_last 2708 _journal_volume 40 _journal_year 2001 _chemical_formula_sum 'K6 Sb3 Tl2' _chemical_name_systematic 'K6 (Tl2 Sb3)' _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 104.26 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 9.951 _cell_length_b 17.137 _cell_length_c 19.64 _cell_volume 3246.019 _citation_journal_id_ASTM INOCAJ _cod_data_source_file ChiLisheng_INOCAJ_2001_1075.cif _cod_data_source_block K6Sb3Tl2 _cod_original_cell_volume 3246.018 _cod_database_code 4343707 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 K2 K+1 0 0.7995 0.25 1 0.0 K4 K+1 0.3281 -0.0844 0.6768 1 0.0 K3 K+1 0.0314 0.0934 0.4461 1 0.0 Sb3 Sb-2 0.6668 -0.0603 0.6388 1 0.0 Tl2 Tl+1 0.7897 0.085 0.5707 1 0.0 Tl1 Tl+1 0.6453 0.0856 0.7278 1 0.0 K1 K+1 0 0.0238 0.25 1 0.0 K6 K+1 0.9439 0.2729 0.5533 1 0.0 K5 K+1 0.3327 0.2558 0.6777 1 0.0 K7 K+1 0.4095 0.0746 0.5541 1 0.0 Sb1 Sb-2 0.6582 0.228 0.6358 1 0.0 Sb2 Sb-2 0.8775 0.089 0.8684 1 0.0