#------------------------------------------------------------------------------ #$Date: 2015-07-10 23:44:46 +0300 (Fri, 10 Jul 2015) $ #$Revision: 143395 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/22/11/7221178.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_7221178 loop_ _publ_author_name 'Vogel, R.' 'Schuster, H.U.' _publ_section_title ; K Hg As (Sb) und K Zn As - Ternaere Verbindungen mit modifizierter Ni2 In-Struktur ; _journal_name_full ; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) ; _journal_page_first 114 _journal_page_last 116 _journal_volume 35 _journal_year 1980 _chemical_formula_sum 'As K Zn' _chemical_name_systematic 'K Zn As' _space_group_IT_number 194 _symmetry_space_group_name_Hall '-P 6c 2c' _symmetry_space_group_name_H-M 'P 63/m m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 4.23 _cell_length_b 4.23 _cell_length_c 10.234 _cell_volume 158.583 _citation_journal_id_ASTM ZNBAD2 _cod_data_source_file Vogel_ZNBAD2_1980_836.cif _cod_data_source_block As1K1Zn1 _cod_original_cell_volume 158.5831 _cod_chemical_formula_sum_orig 'As1 K1 Zn1' _cod_database_code 7221178 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z+1/2 -y,x-y,z -x,-y,z+1/2 -x+y,-x,z y,-x+y,z+1/2 -y,-x,-z+1/2 x-y,-y,-z x,x-y,-z+1/2 y,x,-z -x+y,y,-z+1/2 -x,-x+y,-z -x,-y,-z -x+y,-x,-z-1/2 y,-x+y,-z x,y,-z-1/2 x-y,x,-z -y,x-y,-z-1/2 y,x,z-1/2 -x+y,y,z -x,-x+y,z-1/2 -y,-x,z x-y,-y,z-1/2 x,x-y,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 K1 K+1 0 0 0 1 0.0 Zn1 Zn+2 0.3333 0.6667 0.75 1 0.0 As1 As-3 0.3333 0.6667 0.25 1 0.0