#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/00/1530013.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_1530013 loop_ _publ_author_name 'Gorbunova, Yu.E.' 'Linde, S.A.' 'Pakhomov, V.I.' 'Buslaev, Yu.A.' 'Gustyakova, M.P.' 'Kokunov, Yu.V.' _publ_section_title ; Synthesis and structure of Te(IV) fluoride nitrates and chloride fluorides ; _journal_name_full ; Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)) ; _journal_page_first 340 _journal_page_last 349 _journal_volume 10 _journal_year 1984 _chemical_formula_sum 'Cl F5 K2 Te' _chemical_name_systematic 'K2 Te F5 Cl' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90 _cell_angle_beta 91.16 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 4.59 _cell_length_b 10.49 _cell_length_c 14.925 _cell_volume 718.478 _citation_journal_id_ASTM KOKHDC _cod_data_source_file Gorbunova_KOKHDC_1984_1067.cif _cod_data_source_block Cl1F5K2Te1 _cod_original_cell_volume 718.4781 _cod_original_sg_symbol_Hall '-P 2ybc (x-z,y,z)' _cod_chemical_formula_sum_orig 'Cl1 F5 K2 Te1' _cod_database_code 1530013 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,y+1/2,-z+1/2 -x,-y,-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 0.267 0.1606 0.5791 1 0.0 F3 F-1 0.125 0.007 0.729 1 0.0 F1 F-1 0.27 0.271 0.399 1 0.0 Te1 Te+4 0.1501 0.1301 0.3186 1 0.0 F2 F-1 0.114 0.747 0.74 1 0.0 Cl1 Cl-1 0.267 0.129 0.0954 1 0.0 K1 K+1 0.265 0.5747 0.6073 1 0.0 F4 F-1 0.279 0.003 0.412 1 0.0 F5 F-1 0.163 0.863 0.598 1 0.0