Materials Data on SmSi3Pd by Materials Project

Abstract

SmPdSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sm2+ is bonded to twelve Si+1.33- atoms to form a mixture of edge, face, and corner-sharing SmSi12 cuboctahedra. There are a spread of Sm–Si bond distances ranging from 3.13–3.34 Å. Pd2+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.39 Å) and four longer (2.44 Å) Pd–Si bond lengths. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 2-coordinate geometry to four equivalent Sm2+, two equivalent Pd2+, and two equivalent Si+1.33- atoms. Both Si–Si bond lengths are 2.51 Å. In the second Si+1.33- site, Si+1.33- is bonded in a distorted single-bond geometry to four equivalent Sm2+, one Pd2+, and four equivalent Si+1.33- atoms.