Materials Data on CePt2Au3 by Materials Project

Abstract

CePt2Au3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ce3+ is bonded in a 6-coordinate geometry to six equivalent Pt2- atoms. There are two shorter (3.15 Å) and four longer (3.24 Å) Ce–Pt bond lengths. Pt2- is bonded to three equivalent Ce3+, two equivalent Pt2-, and seven Au+0.33+ atoms to form a mixture of face, edge, and corner-sharing PtCe3Pt2Au7 cuboctahedra. There are one shorter (2.76 Å) and one longer (2.78 Å) Pt–Pt bond lengths. There are a spread of Pt–Au bond distances ranging from 2.73–3.22 Å. There are two inequivalent Au+0.33+ sites. In the first Au+0.33+ site, Au+0.33+ is bonded in a 6-coordinate geometry to six equivalent Pt2- atoms. In the second Au+0.33+ site, Au+0.33+ is bonded in a 6-coordinate geometry to four equivalent Pt2- and two equivalent Au+0.33+ atoms. There are one shorter (2.73 Å) and one longer (2.75 Å) Au–Au bond lengths.