#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/33/14/4331407.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_4331407 loop_ _publ_author_name 'Brazis, P.' 'Kannewurf, C.R.' 'Patschke, R.' 'Kanatzidis, M.' _publ_section_title ; K2 Ag3 Ce Te4 : a semiconducting tunnel framework made from the covalent "link-up" of [Ag2 Ce Te4](3-) layers with Ag ; _journal_name_full 'Inorganic Chemistry' _journal_page_first 6562 _journal_page_last 6563 _journal_paper_doi 10.1021/ic981177l _journal_volume 37 _journal_year 1998 _chemical_formula_sum 'Ag3 Ce K2 Te4' _chemical_name_systematic 'K2 Ag (Ag2 Ce Te4)' _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2ac 2n' _symmetry_space_group_name_H-M 'P n m a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 17.19849 _cell_length_b 4.6393 _cell_length_c 15.4055 _cell_volume 1229.189 _citation_journal_id_ASTM INOCAJ _cod_data_source_file silver3-x_27.cif _cod_data_source_block Ag3Ce1K2Te4 _cod_original_formula_sum 'Ag3 Ce1 K2 Te4' _cod_database_code 4331407 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-z+1/2 -x,y+1/2,-z -x,-y,-z x-1/2,y,-z-1/2 -x-1/2,y-1/2,z-1/2 x,-y-1/2,z 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 Ag2 Ag+1 0.2726 0.75 0.9525 1 0.0 K1 K+1 0.1162 0.25 0.6558 1 0.0 Te4 Te-2 0.4835 0.75 0.7506 1 0.0 Ag1 Ag+1 0.2779 0.75 0.5978 1 0.0 Te3 Te-2 0.3769 0.25 0.9847 1 0.0 Ce1 Ce+3 0.3575 0.25 0.7714 1 0.0 K2 K+1 0.4188 0.75 0.3991 1 0.0 Te2 Te-2 0.3608 0.25 0.5598 1 0.0 Te1 Te-2 0.2262 0.75 0.7774 1 0.0 Ag3 Ag+1 0.4679 0.75 0.9301 1 0.0