Fe2(PdAu)3 crystallizes in the orthorhombic Pmmm space group. Fe(1) is bonded to two equivalent Pd(1), two equivalent Pd(2), two equivalent Pd(3), two equivalent Au(2), and four equivalent Au(1) atoms to form FePd6Au6 cuboctahedra that share corners with twelve equivalent Fe(1)Pd6Au6 cuboctahedra, edges with four equivalent Pd(2)Fe4Au8 cuboctahedra, edges with four equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, edges with four equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, edges with four equivalent Au(2)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Au(1)Fe4Pd6Au2 cuboctahedra, faces with two equivalent Pd(2)Fe4Au8 cuboctahedra, faces with two equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, faces with two equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, faces with two equivalent Au(2)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Au(1)Fe4Pd6Au2 cuboctahedra, and faces with six equivalent Fe(1)Pd6Au6 cuboctahedra. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent Fe(1), four equivalent Pd(3), and four equivalent Au(1) atoms to form distorted PdFe4Pd4Au4 cuboctahedra that share corners with four equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, corners with eight equivalent Au(2)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Fe(1)Pd6Au6 cuboctahedra, edges with eight equivalent Pd(2)Fe4Au8 cuboctahedra, edges with eight equivalent Au(1)Fe4Pd6Au2 cuboctahedra, faces with two equivalent Au(2)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Fe(1)Pd6Au6 cuboctahedra, faces with four equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, and faces with four equivalent Au(1)Fe4Pd6Au2 cuboctahedra. In the second Pd site, Pd(2) is bonded to four equivalent Fe(1), four equivalent Au(1), and four equivalent Au(2) atoms to form PdFe4Au8 cuboctahedra that share corners with four equivalent Pd(2)Fe4Au8 cuboctahedra, corners with eight equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Fe(1)Pd6Au6 cuboctahedra, edges with eight equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Au(1)Fe4Pd6Au2 cuboctahedra, faces with two equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Fe(1)Pd6Au6 cuboctahedra, faces with four equivalent Pd(2)Fe4Au8 cuboctahedra, faces with four equivalent Au(2)Fe4Pd4Au4 cuboctahedra, and faces with four equivalent Au(1)Fe4Pd6Au2 cuboctahedra. In the third Pd site, Pd(3) is bonded to four equivalent Fe(1), four equivalent Pd(1), and four equivalent Au(1) atoms to form distorted PdFe4Pd4Au4 cuboctahedra that share corners with four equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, corners with eight equivalent Pd(2)Fe4Au8 cuboctahedra, edges with eight equivalent Fe(1)Pd6Au6 cuboctahedra, edges with eight equivalent Au(2)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Au(1)Fe4Pd6Au2 cuboctahedra, faces with two equivalent Pd(2)Fe4Au8 cuboctahedra, faces with four equivalent Fe(1)Pd6Au6 cuboctahedra, faces with four equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, and faces with four equivalent Au(1)Fe4Pd6Au2 cuboctahedra. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Fe(1), two equivalent Pd(1), two equivalent Pd(2), two equivalent Pd(3), and two equivalent Au(2) atoms to form distorted AuFe4Pd6Au2 cuboctahedra that share corners with twelve equivalent Au(1)Fe4Pd6Au2 cuboctahedra, edges with four equivalent Pd(2)Fe4Au8 cuboctahedra, edges with four equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, edges with four equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, edges with four equivalent Au(2)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Fe(1)Pd6Au6 cuboctahedra, faces with two equivalent Pd(2)Fe4Au8 cuboctahedra, faces with two equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, faces with two equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, faces with two equivalent Au(2)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Fe(1)Pd6Au6 cuboctahedra, and faces with six equivalent Au(1)Fe4Pd6Au2 cuboctahedra. In the second Au site, Au(2) is bonded to four equivalent Fe(1), four equivalent Pd(2), and four equivalent Au(1) atoms to form distorted AuFe4Pd4Au4 cuboctahedra that share corners with four equivalent Au(2)Fe4Pd4Au4 cuboctahedra, corners with eight equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Fe(1)Pd6Au6 cuboctahedra, edges with eight equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Au(1)Fe4Pd6Au2 cuboctahedra, faces with two equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Fe(1)Pd6Au6 cuboctahedra, faces with four equivalent Pd(2)Fe4Au8 cuboctahedra, faces with four equivalent Au(2)Fe4Pd4Au4 cuboctahedra, and faces with four equivalent Au(1)Fe4Pd6Au2 cuboctahedra.
Fe2(PdAu)3 crystallizes in the orthorhombic Pmmm space group. Fe(1) is bonded to two equivalent Pd(1), two equivalent Pd(2), two equivalent Pd(3), two equivalent Au(2), and four equivalent Au(1) atoms to form FePd6Au6 cuboctahedra that share corners with twelve equivalent Fe(1)Pd6Au6 cuboctahedra, edges with four equivalent Pd(2)Fe4Au8 cuboctahedra, edges with four equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, edges with four equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, edges with four equivalent Au(2)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Au(1)Fe4Pd6Au2 cuboctahedra, faces with two equivalent Pd(2)Fe4Au8 cuboctahedra, faces with two equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, faces with two equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, faces with two equivalent Au(2)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Au(1)Fe4Pd6Au2 cuboctahedra, and faces with six equivalent Fe(1)Pd6Au6 cuboctahedra. Both Fe(1)-Pd(1) bond lengths are 2.74 Å. Both Fe(1)-Pd(2) bond lengths are 2.83 Å. Both Fe(1)-Pd(3) bond lengths are 2.74 Å. Both Fe(1)-Au(2) bond lengths are 2.83 Å. All Fe(1)-Au(1) bond lengths are 2.82 Å. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent Fe(1), four equivalent Pd(3), and four equivalent Au(1) atoms to form distorted PdFe4Pd4Au4 cuboctahedra that share corners with four equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, corners with eight equivalent Au(2)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Fe(1)Pd6Au6 cuboctahedra, edges with eight equivalent Pd(2)Fe4Au8 cuboctahedra, edges with eight equivalent Au(1)Fe4Pd6Au2 cuboctahedra, faces with two equivalent Au(2)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Fe(1)Pd6Au6 cuboctahedra, faces with four equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, and faces with four equivalent Au(1)Fe4Pd6Au2 cuboctahedra. All Pd(1)-Pd(3) bond lengths are 2.82 Å. All Pd(1)-Au(1) bond lengths are 2.77 Å. In the second Pd site, Pd(2) is bonded to four equivalent Fe(1), four equivalent Au(1), and four equivalent Au(2) atoms to form PdFe4Au8 cuboctahedra that share corners with four equivalent Pd(2)Fe4Au8 cuboctahedra, corners with eight equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Fe(1)Pd6Au6 cuboctahedra, edges with eight equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Au(1)Fe4Pd6Au2 cuboctahedra, faces with two equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Fe(1)Pd6Au6 cuboctahedra, faces with four equivalent Pd(2)Fe4Au8 cuboctahedra, faces with four equivalent Au(2)Fe4Pd4Au4 cuboctahedra, and faces with four equivalent Au(1)Fe4Pd6Au2 cuboctahedra. All Pd(2)-Au(1) bond lengths are 2.80 Å. All Pd(2)-Au(2) bond lengths are 2.82 Å. In the third Pd site, Pd(3) is bonded to four equivalent Fe(1), four equivalent Pd(1), and four equivalent Au(1) atoms to form distorted PdFe4Pd4Au4 cuboctahedra that share corners with four equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, corners with eight equivalent Pd(2)Fe4Au8 cuboctahedra, edges with eight equivalent Fe(1)Pd6Au6 cuboctahedra, edges with eight equivalent Au(2)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Au(1)Fe4Pd6Au2 cuboctahedra, faces with two equivalent Pd(2)Fe4Au8 cuboctahedra, faces with four equivalent Fe(1)Pd6Au6 cuboctahedra, faces with four equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, and faces with four equivalent Au(1)Fe4Pd6Au2 cuboctahedra. All Pd(3)-Au(1) bond lengths are 2.77 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Fe(1), two equivalent Pd(1), two equivalent Pd(2), two equivalent Pd(3), and two equivalent Au(2) atoms to form distorted AuFe4Pd6Au2 cuboctahedra that share corners with twelve equivalent Au(1)Fe4Pd6Au2 cuboctahedra, edges with four equivalent Pd(2)Fe4Au8 cuboctahedra, edges with four equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, edges with four equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, edges with four equivalent Au(2)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Fe(1)Pd6Au6 cuboctahedra, faces with two equivalent Pd(2)Fe4Au8 cuboctahedra, faces with two equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, faces with two equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, faces with two equivalent Au(2)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Fe(1)Pd6Au6 cuboctahedra, and faces with six equivalent Au(1)Fe4Pd6Au2 cuboctahedra. Both Au(1)-Au(2) bond lengths are 2.80 Å. In the second Au site, Au(2) is bonded to four equivalent Fe(1), four equivalent Pd(2), and four equivalent Au(1) atoms to form distorted AuFe4Pd4Au4 cuboctahedra that share corners with four equivalent Au(2)Fe4Pd4Au4 cuboctahedra, corners with eight equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Fe(1)Pd6Au6 cuboctahedra, edges with eight equivalent Pd(3)Fe4Pd4Au4 cuboctahedra, edges with eight equivalent Au(1)Fe4Pd6Au2 cuboctahedra, faces with two equivalent Pd(1)Fe4Pd4Au4 cuboctahedra, faces with four equivalent Fe(1)Pd6Au6 cuboctahedra, faces with four equivalent Pd(2)Fe4Au8 cuboctahedra, faces with four equivalent Au(2)Fe4Pd4Au4 cuboctahedra, and faces with four equivalent Au(1)Fe4Pd6Au2 cuboctahedra.