data_193117 _audit_creation_method 'Created with Diamond (www.crystalimpact.com)' _audit_creation_date 18-10-12 _audit_update_record 18-10-12 _database_code_ICSD 193117 loop_ _publ_author_name 'Zakharova,' 'Elena, Yu.' 'Andreeva,' 'Natalia, A.' 'Kazakov,' 'Sergey, M.' 'Kuznetsov,' 'Alexey, N.' _publ_section_title ; Ternary arsenides based on platinum-indium and palladium-indium fragments of the Cu3 Au-type: Crystal structures and chemical bonding ; _chemical_formula_sum 'Pd5 In As' _chemical_formula_structural 'Pd5 In As' _chemical_name_systematic ; Palladium indium arsenide (5/1/1) ; _chemical_name_structure_type ; Pd5TlAs ; _chemical_formula_weight 721.842 _refine_ls_R_factor_all 0.016 _cell_length_a 3.986(1) _cell_length_b 3.986(1) _cell_length_c 6.9839(1) _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_formula_units_Z 1 _symmetry_int_tables_number 123 _symmetry_space_group_name_H-M 'P 4/m m m' _symmetry_space_group_name_Hall '-P_4_2' loop_ _atom_type_symbol _atom_type_oxidation_number _atom_type_radius_bond Pd ? 1.200 In ? 1.200 As ? 1.200 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_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_attached_hydrogens _atom_site_calc_flag _atom_site_thermal_displace_type _atom_site_u_iso_or_equiv Pd1 Pd 0.0000 0.0000 0.0000 1.000 1 a ? d Biso 0.208(15) Pd2 Pd 0.0000 0.5000 0.2889(2) 1.000 4 i ? d Biso 0.208(15) In1 In 0.5000 0.5000 0.0000 1.000 1 c ? d Biso 0.208(15) As1 As 0.0000 0.0000 0.5000 1.000 1 b ? d Biso 0.208(15)