Materials Data on SmCu4Pd by Materials Project

Abstract

SmCu4Pd crystallizes in the trigonal R3m space group. The structure is three-dimensional. Sm is bonded in a 3-coordinate geometry to three equivalent Pd and thirteen Cu atoms. All Sm–Pd bond lengths are 2.92 Å. There are a spread of Sm–Cu bond distances ranging from 3.00–3.16 Å. Pd is bonded to three equivalent Sm and nine Cu atoms to form a mixture of edge and corner-sharing PdSm3Cu9 cuboctahedra. There are a spread of Pd–Cu bond distances ranging from 2.58–2.99 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 11-coordinate geometry to three equivalent Sm, two equivalent Pd, and six Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.48–2.81 Å. In the second Cu site, Cu is bonded in a 7-coordinate geometry to four equivalent Sm, three equivalent Pd, and six equivalent Cu atoms.