Materials Data on Sm3(Ge3Pd10)2 by Materials Project

Abstract

Sm3(Pd10Ge3)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, edges with twelve equivalent PdSmGe3Pd6 tetrahedra, faces with four equivalent SmPd12 cuboctahedra, and faces with four equivalent PdSmGe3Pd6 tetrahedra. There are four shorter (2.86 Å) and twelve longer (3.42 Å) Sm–Pd bond lengths. In the second Sm site, Sm is bonded to twelve equivalent Pd atoms to form SmPd12 cuboctahedra that share edges with twenty-four equivalent PdSmGe3Pd6 tetrahedra and faces with eight equivalent SmPd16 tetrahedra. All Sm–Pd bond lengths are 3.08 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Sm, six equivalent Pd, and three equivalent Ge atoms to form PdSmGe3Pd6 tetrahedra that share corners with three equivalent PdSmGe3Pd6 tetrahedra, edges with three equivalent SmPd12 cuboctahedra, edges with three equivalent SmPd16 tetrahedra, edges with three equivalent PdSmGe3Pd6 tetrahedra, a faceface with one SmPd16 tetrahedra, and faces with six equivalent PdSmGe3Pd6 tetrahedra. All Pd–Pd bond lengths are 3.08 Å. All Pd–Ge bond lengths are 2.53 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to three Sm, nine Pd, and two equivalent Ge atoms. There are one shorter (2.71 Å) and four longer (3.08 Å) Pd–Pd bond lengths. Both Pd–Ge bond lengths are 2.49 Å. Ge is bonded in a 8-coordinate geometry to eight Pd atoms.