Ce2Pd6B crystallizes in the tetragonal P4/mmm space group. Ce(1) is bonded to four equivalent Pd(1), four equivalent Pd(2), and four equivalent Pd(3) atoms to form CePd12 cuboctahedra that share corners with twelve equivalent Ce(1)Pd12 cuboctahedra, faces with six equivalent Ce(1)Pd12 cuboctahedra, and faces with four equivalent B(1)Pd6 octahedra. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 1-coordinate geometry to four equivalent Ce(1) and one B(1) atom. In the second Pd site, Pd(2) is bonded to four equivalent Ce(1) and two equivalent B(1) atoms to form a mixture of corner, face, and edge-sharing PdCe4B2 octahedra. The corner-sharing octahedra are not tilted. In the third Pd site, Pd(3) is bonded in a distorted square co-planar geometry to four equivalent Ce(1) atoms. B(1) is bonded to two equivalent Pd(1) and four equivalent Pd(2) atoms to form BPd6 octahedra that share corners with four equivalent B(1)Pd6 octahedra and faces with eight equivalent Ce(1)Pd12 cuboctahedra. The corner-sharing octahedra are not tilted.
Ce2Pd6B crystallizes in the tetragonal P4/mmm space group. Ce(1) is bonded to four equivalent Pd(1), four equivalent Pd(2), and four equivalent Pd(3) atoms to form CePd12 cuboctahedra that share corners with twelve equivalent Ce(1)Pd12 cuboctahedra, faces with six equivalent Ce(1)Pd12 cuboctahedra, and faces with four equivalent B(1)Pd6 octahedra. All Ce(1)-Pd(1) bond lengths are 3.09 Å. All Ce(1)-Pd(2) bond lengths are 3.02 Å. All Ce(1)-Pd(3) bond lengths are 2.98 Å. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 1-coordinate geometry to four equivalent Ce(1) and one B(1) atom. The Pd(1)-B(1) bond length is 2.16 Å. In the second Pd site, Pd(2) is bonded to four equivalent Ce(1) and two equivalent B(1) atoms to form a mixture of corner, face, and edge-sharing PdCe4B2 octahedra. The corner-sharing octahedra are not tilted. Both Pd(2)-B(1) bond lengths are 2.18 Å. In the third Pd site, Pd(3) is bonded in a distorted square co-planar geometry to four equivalent Ce(1) atoms. B(1) is bonded to two equivalent Pd(1) and four equivalent Pd(2) atoms to form BPd6 octahedra that share corners with four equivalent B(1)Pd6 octahedra and faces with eight equivalent Ce(1)Pd12 cuboctahedra. The corner-sharing octahedra are not tilted.