Materials Data on Sm3(P3Pd10)2 by Materials Project

Abstract

Sm3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to sixteen Pd atoms to form distorted SmPd16 tetrahedra that share edges with six equivalent SmPd16 tetrahedra and faces with four equivalent SmP6Pd12 cuboctahedra. There are four shorter (2.90 Å) and twelve longer (3.36 Å) Sm–Pd bond lengths. In the second Sm site, Sm is bonded to twelve equivalent Pd and six equivalent P atoms to form distorted face-sharing SmP6Pd12 cuboctahedra. All Sm–Pd bond lengths are 3.03 Å. All Sm–P bond lengths are 3.23 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to one Sm, six equivalent Pd, and three equivalent P atoms. All Pd–Pd bond lengths are 3.06 Å. All Pd–P bond lengths are 2.51 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to three Sm, nine Pd, and two equivalent P atoms. There are one shorter (2.67 Å) and four longer (3.03 Å) Pd–Pd bond lengths. Both Pd–P bond lengths are 2.40 Å. P is bonded in a 9-coordinate geometry to one Sm and eight Pd atoms.