Pd5B crystallizes in the tetragonal I4/mmm space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a single-bond geometry to four equivalent Pd(3) and one B(1) atom. In the second Pd site, Pd(2) is bonded in a square co-planar geometry to four equivalent B(1) atoms. In the third Pd site, Pd(3) is bonded in a distorted body-centered cubic geometry to four equivalent Pd(1) and four equivalent Pd(3) atoms. B(1) is bonded to two equivalent Pd(1) and four equivalent Pd(2) atoms to form a mixture of edge and corner-sharing BPd6 octahedra. The corner-sharing octahedra are not tilted.
Pd5B crystallizes in the tetragonal I4/mmm space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a single-bond geometry to four equivalent Pd(3) and one B(1) atom. All Pd(1)-Pd(3) bond lengths are 2.74 Å. The Pd(1)-B(1) bond length is 1.99 Å. In the second Pd site, Pd(2) is bonded in a square co-planar geometry to four equivalent B(1) atoms. All Pd(2)-B(1) bond lengths are 2.21 Å. In the third Pd site, Pd(3) is bonded in a distorted body-centered cubic geometry to four equivalent Pd(1) and four equivalent Pd(3) atoms. All Pd(3)-Pd(3) bond lengths are 2.74 Å. B(1) is bonded to two equivalent Pd(1) and four equivalent Pd(2) atoms to form a mixture of edge and corner-sharing BPd6 octahedra. The corner-sharing octahedra are not tilted.