#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1010003.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_1010003 _chemical_name_systematic 'Arsenic tin (3/4)' _chemical_formula_structural 'As3 Sn4' _chemical_formula_sum 'As3 Sn4' _publ_section_title ; X-ray studies on the systems tin-antimony and tin-arsenic ; loop_ _publ_author_name 'Haegg, G' 'Hybinette, A G' _journal_name_full ; Philosophical Magazine, Serie 7(1926-46,1955) ; _journal_coden_ASTM PHMA72 _journal_volume 20 _journal_year 1935 _journal_page_first 913 _journal_page_last 929 _cell_length_a 12.23 _cell_length_b 12.23 _cell_length_c 12.23 _cell_angle_alpha 19.22 _cell_angle_beta 19.22 _cell_angle_gamma 19.22 _cell_volume 173.3 _cell_formula_units_Z 1 _symmetry_space_group_name_H-M 'R -3 m R' _symmetry_Int_Tables_number 166 _symmetry_cell_setting trigonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'y,x,z' 'y,z,x' 'x,z,y' 'z,x,y' 'z,y,x' '-x,-y,-z' '-y,-x,-z' '-y,-z,-x' '-x,-z,-y' '-z,-x,-y' '-z,-y,-x' loop_ _atom_type_symbol _atom_type_oxidation_number As0 0.000 Sn0 0.000 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 As1 As0 1 a 0. 0. 0. 1. 0 d Sn1 Sn0 2 c 0.1429 0.1429 0.1429 1. 0 d Sn2 Sn0 2 c 0.2857 0.2857 0.2857 1. 0 d As2 As0 2 c 0.4286 0.4286 0.4286 1. 0 d