Materials Data on Lu3(P3Pd10)2 by Materials Project
Lu3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to sixteen Pd atoms to form distorted LuPd16 tetrahedra that share edges with six equivalent LuPd16 tetrahedra and faces with four equivalent LuPd12 cuboctahedra. There are four shorter (2.82 Å) and twelve longer (3.34 Å) Lu–Pd bond lengths. In the second Lu site, Lu is bonded to twelve equivalent Pd atoms to form distorted face-sharing LuPd12 cuboctahedra. All Lu–Pd bond lengths are 2.98 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to one Lu, six equivalent Pd, and three equivalent P atoms. All Pd–Pd bond lengths are 3.03 Å. All Pd–P bond lengths are 2.49 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to three Lu, nine Pd, and two equivalent P atoms. There are one shorter (2.70 Å) and four longer (2.98 Å) Pd–Pd bond lengths. Both Pd–P bond lengths are 2.39 Å. P is bonded in a 9-coordinate geometry to eight Pd atoms.