PdAl4Si crystallizes in the trigonal R-3m space group. Pd(1) is bonded in a body-centered cubic geometry to two equivalent Al(2) and six equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Pd(1) and one Si(1) atom to form distorted AlSiPd3 tetrahedra that share corners with six equivalent Al(2)Si3Pd tetrahedra, corners with ten equivalent Al(1)SiPd3 tetrahedra, edges with three equivalent Al(2)Si3Pd tetrahedra, and edges with three equivalent Al(1)SiPd3 tetrahedra. In the second Al site, Al(2) is bonded to one Pd(1) and three equivalent Si(1) atoms to form distorted AlSi3Pd tetrahedra that share corners with six equivalent Al(1)SiPd3 tetrahedra, corners with ten equivalent Al(2)Si3Pd tetrahedra, edges with three equivalent Al(2)Si3Pd tetrahedra, and edges with three equivalent Al(1)SiPd3 tetrahedra. Si(1) is bonded in a body-centered cubic geometry to two equivalent Al(1) and six equivalent Al(2) atoms.
PdAl4Si crystallizes in the trigonal R-3m space group. Pd(1) is bonded in a body-centered cubic geometry to two equivalent Al(2) and six equivalent Al(1) atoms. Both Pd(1)-Al(2) bond lengths are 2.49 Å. All Pd(1)-Al(1) bond lengths are 2.57 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Pd(1) and one Si(1) atom to form distorted AlSiPd3 tetrahedra that share corners with six equivalent Al(2)Si3Pd tetrahedra, corners with ten equivalent Al(1)SiPd3 tetrahedra, edges with three equivalent Al(2)Si3Pd tetrahedra, and edges with three equivalent Al(1)SiPd3 tetrahedra. The Al(1)-Si(1) bond length is 2.68 Å. In the second Al site, Al(2) is bonded to one Pd(1) and three equivalent Si(1) atoms to form distorted AlSi3Pd tetrahedra that share corners with six equivalent Al(1)SiPd3 tetrahedra, corners with ten equivalent Al(2)Si3Pd tetrahedra, edges with three equivalent Al(2)Si3Pd tetrahedra, and edges with three equivalent Al(1)SiPd3 tetrahedra. All Al(2)-Si(1) bond lengths are 2.63 Å. Si(1) is bonded in a body-centered cubic geometry to two equivalent Al(1) and six equivalent Al(2) atoms.