#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/00/85/1008518.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_1008518 loop_ _publ_author_name 'Klein, J' 'Eisenmann, B' _publ_section_title ; Zintl-Phasen mit komplexen Anionen: Darstellung und Einkristallstrukturbestimmung von KSnAs und K~6~Sn~3~As~5~ ; _journal_coden_ASTM MRBUAC _journal_name_full 'Materials Research Bulletin' _journal_page_first 587 _journal_page_last 594 _journal_paper_doi 10.1016/0025-5408(88)90167-5 _journal_volume 23 _journal_year 1988 _chemical_formula_structural 'K Sn As' _chemical_formula_sum 'As K Sn' _chemical_name_systematic 'Potassium tin arsenide' _space_group_IT_number 186 _symmetry_cell_setting hexagonal _symmetry_Int_Tables_number 186 _symmetry_space_group_name_Hall 'P 6c -2c' _symmetry_space_group_name_H-M 'P 63 m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 4.102(2) _cell_length_b 4.102(2) _cell_length_c 12.816(5) _cell_volume 186.8 _refine_ls_R_factor_all 0.042 _cod_database_code 1008518 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z y-x,-x,z -y,-x,z y-x,y,z x,x-y,z -x,-y,1/2+z y,y-x,1/2+z x-y,x,1/2+z y,x,1/2+z x-y,-y,1/2+z -x,y-x,1/2+z loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag K1 K1+ 2 b 0.3333 0.6667 0. 1. 0 d Sn1 Sn2+ 2 a 0. 0. 0.2823(9) 1. 0 d As1 As3- 2 b 0.3333 0.6667 0.6795(5) 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number K1+ 1.000 Sn2+ 2.000 As3- -3.000