Materials Data on SmSi3Pt by Materials Project

Abstract

SmPtSi3 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 3.13–3.33 Å. Pt2+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.38 Å) and four longer (2.43 Å) Pt–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 distorted bent 120 degrees geometry to four equivalent Sm2+ and two equivalent Pt2+ atoms. In the second Si+1.33- site, Si+1.33- is bonded in a distorted single-bond geometry to four equivalent Sm2+ and one Pt2+ atom.