CePdAl3 crystallizes in the tetragonal I-4m2 space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Pd(1), four equivalent Al(2), and eight equivalent Al(1) atoms. Pd(1) is bonded to four equivalent Ce(1), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted PdCe4Al8 tetrahedra that share corners with four equivalent Al(2)Ce4Al4Pd4 cuboctahedra, corners with twelve equivalent Pd(1)Ce4Al8 tetrahedra, edges with two equivalent Al(2)Ce4Al4Pd4 cuboctahedra, faces with four equivalent Al(2)Ce4Al4Pd4 cuboctahedra, and faces with four equivalent Pd(1)Ce4Al8 tetrahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), two equivalent Pd(1), one Al(1), and two equivalent Al(2) atoms. In the second Al site, Al(2) is bonded to four equivalent Ce(1), four equivalent Pd(1), and four equivalent Al(1) atoms to form AlCe4Al4Pd4 cuboctahedra that share corners with twelve equivalent Al(2)Ce4Al4Pd4 cuboctahedra, corners with four equivalent Pd(1)Ce4Al8 tetrahedra, edges with two equivalent Pd(1)Ce4Al8 tetrahedra, faces with four equivalent Al(2)Ce4Al4Pd4 cuboctahedra, and faces with four equivalent Pd(1)Ce4Al8 tetrahedra.
CePdAl3 crystallizes in the tetragonal I-4m2 space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Pd(1), four equivalent Al(2), and eight equivalent Al(1) atoms. All Ce(1)-Pd(1) bond lengths are 3.46 Å. All Ce(1)-Al(2) bond lengths are 3.46 Å. All Ce(1)-Al(1) bond lengths are 3.22 Å. Pd(1) is bonded to four equivalent Ce(1), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted PdCe4Al8 tetrahedra that share corners with four equivalent Al(2)Ce4Al4Pd4 cuboctahedra, corners with twelve equivalent Pd(1)Ce4Al8 tetrahedra, edges with two equivalent Al(2)Ce4Al4Pd4 cuboctahedra, faces with four equivalent Al(2)Ce4Al4Pd4 cuboctahedra, and faces with four equivalent Pd(1)Ce4Al8 tetrahedra. All Pd(1)-Al(1) bond lengths are 2.57 Å. All Pd(1)-Al(2) bond lengths are 2.96 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), two equivalent Pd(1), one Al(1), and two equivalent Al(2) atoms. The Al(1)-Al(1) bond length is 2.54 Å. Both Al(1)-Al(2) bond lengths are 2.57 Å. In the second Al site, Al(2) is bonded to four equivalent Ce(1), four equivalent Pd(1), and four equivalent Al(1) atoms to form AlCe4Al4Pd4 cuboctahedra that share corners with twelve equivalent Al(2)Ce4Al4Pd4 cuboctahedra, corners with four equivalent Pd(1)Ce4Al8 tetrahedra, edges with two equivalent Pd(1)Ce4Al8 tetrahedra, faces with four equivalent Al(2)Ce4Al4Pd4 cuboctahedra, and faces with four equivalent Pd(1)Ce4Al8 tetrahedra.