Be15Hf6Pd8 crystallizes in the cubic Fm-3m space group. There are three inequivalent Be sites. In the first Be site, Be(2) is bonded to four equivalent Be(1), four equivalent Hf(1), and four equivalent Pd(1) atoms to form a mixture of distorted face and corner-sharing BeHf4Be4Pd4 cuboctahedra. In the second Be site, Be(3) is bonded in a body-centered cubic geometry to eight equivalent Pd(1) atoms. In the third Be site, Be(1) is bonded in a 12-coordinate geometry to three equivalent Be(1), three equivalent Be(2), three equivalent Hf(1), and three equivalent Pd(1) atoms. Hf(1) is bonded in a 12-coordinate geometry to four equivalent Be(1), four equivalent Be(2), and four equivalent Pd(1) atoms. Pd(1) is bonded in a 10-coordinate geometry to one Be(3), three equivalent Be(1), three equivalent Be(2), and three equivalent Hf(1) atoms.
Be15Hf6Pd8 crystallizes in the cubic Fm-3m space group. There are three inequivalent Be sites. In the first Be site, Be(2) is bonded to four equivalent Be(1), four equivalent Hf(1), and four equivalent Pd(1) atoms to form a mixture of distorted face and corner-sharing BeHf4Be4Pd4 cuboctahedra. All Be(2)-Be(1) bond lengths are 2.32 Å. All Be(2)-Hf(1) bond lengths are 2.90 Å. All Be(2)-Pd(1) bond lengths are 2.46 Å. In the second Be site, Be(3) is bonded in a body-centered cubic geometry to eight equivalent Pd(1) atoms. All Be(3)-Pd(1) bond lengths are 2.46 Å. In the third Be site, Be(1) is bonded in a 12-coordinate geometry to three equivalent Be(1), three equivalent Be(2), three equivalent Hf(1), and three equivalent Pd(1) atoms. All Be(1)-Be(1) bond lengths are 2.45 Å. All Be(1)-Hf(1) bond lengths are 2.80 Å. All Be(1)-Pd(1) bond lengths are 2.42 Å. Hf(1) is bonded in a 12-coordinate geometry to four equivalent Be(1), four equivalent Be(2), and four equivalent Pd(1) atoms. All Hf(1)-Pd(1) bond lengths are 2.83 Å. Pd(1) is bonded in a 10-coordinate geometry to one Be(3), three equivalent Be(1), three equivalent Be(2), and three equivalent Hf(1) atoms.