#------------------------------------------------------------------------------ #$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $ #$Revision: 120071 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/00/81/1008117.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_1008117 _chemical_name_systematic 'Rhenium arsenide (3/7)' _chemical_formula_structural 'Re3 As7' _chemical_formula_sum 'As7 Re3' _publ_section_title 'Untersuchungen an Re~3~ As~7~' loop_ _publ_author_name 'Klein, M' 'Schnering, H G von' _journal_name_full 'Journal of the Less-Common Metals' _journal_coden_ASTM JCOMAH _journal_volume 11 _journal_year 1966 _journal_page_first 298 _journal_page_last 299 _cell_length_a 8.714(1) _cell_length_b 8.714(1) _cell_length_c 8.714(1) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 661.7 _cell_formula_units_Z 4 _symmetry_space_group_name_H-M 'I m -3 m' _symmetry_Int_Tables_number 229 _symmetry_cell_setting cubic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'y,z,x' 'z,x,y' 'x,z,y' 'y,x,z' 'z,y,x' 'x,-y,-z' 'y,-z,-x' 'z,-x,-y' 'x,-z,-y' 'y,-x,-z' 'z,-y,-x' '-x,y,-z' '-y,z,-x' '-z,x,-y' '-x,z,-y' '-y,x,-z' '-z,y,-x' '-x,-y,z' '-y,-z,x' '-z,-x,y' '-x,-z,y' '-y,-x,z' '-z,-y,x' '-x,-y,-z' '-y,-z,-x' '-z,-x,-y' '-x,-z,-y' '-y,-x,-z' '-z,-y,-x' '-x,y,z' '-y,z,x' '-z,x,y' '-x,z,y' '-y,x,z' '-z,y,x' 'x,-y,z' 'y,-z,x' 'z,-x,y' 'x,-z,y' 'y,-x,z' 'z,-y,x' 'x,y,-z' 'y,z,-x' 'z,x,-y' 'x,z,-y' 'y,x,-z' 'z,y,-x' '1/2+x,1/2+y,1/2+z' '1/2+y,1/2+z,1/2+x' '1/2+z,1/2+x,1/2+y' '1/2+x,1/2+z,1/2+y' '1/2+y,1/2+x,1/2+z' '1/2+z,1/2+y,1/2+x' '1/2+x,1/2-y,1/2-z' '1/2+y,1/2-z,1/2-x' '1/2+z,1/2-x,1/2-y' '1/2+x,1/2-z,1/2-y' '1/2+y,1/2-x,1/2-z' '1/2+z,1/2-y,1/2-x' '1/2-x,1/2+y,1/2-z' '1/2-y,1/2+z,1/2-x' '1/2-z,1/2+x,1/2-y' '1/2-x,1/2+z,1/2-y' '1/2-y,1/2+x,1/2-z' '1/2-z,1/2+y,1/2-x' '1/2-x,1/2-y,1/2+z' '1/2-y,1/2-z,1/2+x' '1/2-z,1/2-x,1/2+y' '1/2-x,1/2-z,1/2+y' '1/2-y,1/2-x,1/2+z' '1/2-z,1/2-y,1/2+x' '1/2-x,1/2-y,1/2-z' '1/2-y,1/2-z,1/2-x' '1/2-z,1/2-x,1/2-y' '1/2-x,1/2-z,1/2-y' '1/2-y,1/2-x,1/2-z' '1/2-z,1/2-y,1/2-x' '1/2-x,1/2+y,1/2+z' '1/2-y,1/2+z,1/2+x' '1/2-z,1/2+x,1/2+y' '1/2-x,1/2+z,1/2+y' '1/2-y,1/2+x,1/2+z' '1/2-z,1/2+y,1/2+x' '1/2+x,1/2-y,1/2+z' '1/2+y,1/2-z,1/2+x' '1/2+z,1/2-x,1/2+y' '1/2+x,1/2-z,1/2+y' '1/2+y,1/2-x,1/2+z' '1/2+z,1/2-y,1/2+x' '1/2+x,1/2+y,1/2-z' '1/2+y,1/2+z,1/2-x' '1/2+z,1/2+x,1/2-y' '1/2+x,1/2+z,1/2-y' '1/2+y,1/2+x,1/2-z' '1/2+z,1/2+y,1/2-x' loop_ _atom_type_symbol _atom_type_oxidation_number Re0 0.000 As0 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 Re1 Re0 12 e 0.338(2) 0. 0. 1. 0 d As1 As0 12 d 0.25 0. 0.5 1. 0 d As2 As0 16 f 0.168(2) 0.168(2) 0.168(2) 1. 0 d _cod_database_code 1008117 _journal_paper_doi 10.1016/0022-5088(66)90021-X