Materials Data on UPt5 by Materials Project

Abstract

UPt5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. U6+ is bonded in a 12-coordinate geometry to sixteen Pt+1.20- atoms. There are twelve shorter (3.11 Å) and four longer (3.25 Å) U–Pt bond lengths. There are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded to four equivalent U6+ and twelve equivalent Pt+1.20- atoms to form distorted PtU4Pt12 tetrahedra that share corners with twelve equivalent PtU3Pt9 cuboctahedra, faces with twenty-eight equivalent PtU3Pt9 cuboctahedra, and faces with twelve equivalent PtU4Pt12 tetrahedra. All Pt–Pt bond lengths are 3.11 Å. In the second Pt+1.20- site, Pt+1.20- is bonded to three equivalent U6+ and nine Pt+1.20- atoms to form distorted PtU3Pt9 cuboctahedra that share corners with eighteen equivalent PtU3Pt9 cuboctahedra, corners with three equivalent PtU4Pt12 tetrahedra, edges with six equivalent PtU3Pt9 cuboctahedra, faces with eighteen equivalent PtU3Pt9 cuboctahedra, and faces with seven equivalent PtU4Pt12 tetrahedra. There are three shorter (2.64 Å) and three longer (2.66 Å) Pt–Pt bond lengths.