#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/00/17/4001727.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_4001727 loop_ _publ_author_name 'Fu, A.-H.' 'Chen, X.' 'Huang, X.-Y.' 'Guo, H.-Y.' 'Li, J.' 'Zhang, L.-D.' _publ_section_title ; From 1D chain to 3D network: syntheses, structures, and 1D properties of K2 Mn Sn2 Se6, K2 Mn Sn Se4, and K2 Ag2 Sn Se4 ; _journal_name_full 'Chemistry of Materials (1,1989-)' _journal_page_first 2385 _journal_page_last 2391 _journal_volume 12 _journal_year 2000 _chemical_formula_sum 'Ag2 K2 Se4 Sn' _chemical_name_systematic 'K2 (Ag2 Sn Se4)' _space_group_IT_number 13 _symmetry_space_group_name_Hall '-P 2yc' _symmetry_space_group_name_H-M 'P 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 113.56 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 7.575 _cell_length_b 5.92 _cell_length_c 12.148 _cell_volume 499.354 _citation_journal_id_ASTM CMATEX _cod_data_source_file silver2-3_116.cif _cod_data_source_block Ag2K2Se4Sn1 _cod_original_cell_volume 499.3544 _cod_original_formula_sum 'Ag2 K2 Se4 Sn1' _cod_database_code 4001727 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z+1/2 -x,-y,-z x,-y,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 K1 K+1 0 0.5228 0.25 1 0.0 Ag1 Ag+1 0.4991 0.2499 0.5331 1 0.0 K2 K+1 0 0 0 1 0.0 Se1 Se-2 0.2672 0.0306 0.3104 1 0.0 Se2 Se-2 0.2667 0.4701 0.0746 1 0.0 Sn1 Sn+4 0.5 0.2491 0.25 1 0.0