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DOE OSTI2020

Materials Data on USnPt by Materials Project

UPtSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. U is bonded to four equivalent Pt and six equivalent Sn atoms to form a mixture of distorted corner and face-sharing USn6Pt4 tetrahedra. All U–Pt bond lengths are 2.87 Å. All U–Sn bond lengths are 3.31 Å. Pt is bonded in a body-centered cubic geometry to four equivalent U and four equivalent Sn atoms. All Pt–Sn bond lengths are 2.87 Å. Sn is bonded in a 10-coordinate geometry to six equivalent U and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on USnPt by Materials Project

UPtSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. U is bonded in a 11-coordinate geometry to five Pt and six equivalent Sn atoms. There are four shorter (3.07 Å) and one longer (3.08 Å) U–Pt bond lengths. There are two shorter (3.24 Å) and four longer (3.40 Å) U–Sn bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent U and six equivalent Sn atoms. All Pt–Sn bond lengths are 2.82 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent U and three equivalent Sn atoms. All Pt–Sn bond lengths are 2.83 Å. Sn is bonded in a 12-coordinate geometry to six equivalent U and four Pt atoms.

36 MATERIALS SCIENCE↗