Materials Data on UPt2Au3 by Materials Project

Abstract

UPt2Au3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. U4+ is bonded in a 6-coordinate geometry to six equivalent Pt2- atoms. There are two shorter (3.15 Å) and four longer (3.22 Å) U–Pt bond lengths. Pt2- is bonded to three equivalent U4+, two equivalent Pt2-, and seven Au atoms to form a mixture of corner, edge, and face-sharing PtU3Pt2Au7 cuboctahedra. There are one shorter (2.74 Å) and one longer (2.76 Å) Pt–Pt bond lengths. There are a spread of Pt–Au bond distances ranging from 2.72–3.20 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 12-coordinate geometry to six equivalent Pt2- and six equivalent Au atoms. There are two shorter (3.18 Å) and four longer (3.21 Å) Au–Au bond lengths. In the second Au site, Au is bonded in a 12-coordinate geometry to four equivalent Pt2- and three equivalent Au atoms.