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Materials Data on LuSbPt by Materials Project

PtLuSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Lu3+ is bonded to four equivalent Pt2- and six equivalent Sb1- atoms to form a mixture of distorted corner and face-sharing LuSb6Pt4 tetrahedra. All Lu–Pt bond lengths are 2.83 Å. All Lu–Sb bond lengths are 3.27 Å. Pt2- is bonded in a body-centered cubic geometry to four equivalent Lu3+ and four equivalent Sb1- atoms. All Pt–Sb bond lengths are 2.83 Å. Sb1- is bonded in a 10-coordinate geometry to six equivalent Lu3+ and four equivalent Pt2- atoms.

36 MATERIALS SCIENCE↗

Materials Data on Lu5SbPt2 by Materials Project

Lu5Pt2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to four equivalent Pt and two equivalent Sb atoms to form distorted corner-sharing LuSb2Pt4 octahedra. The corner-sharing octahedra tilt angles range from 0–49°. All Lu–Pt bond lengths are 2.94 Å. Both Lu–Sb bond lengths are 3.39 Å. In the second Lu site, Lu is bonded in a 5-coordinate geometry to three equivalent Pt and two equivalent Sb atoms. There are one shorter (2.87 Å) and two longer (2.93 Å) Lu–Pt bond lengths. Both Lu–Sb bond lengths are 3.22 Å. Pt is bonded in a 8-coordinate geometry to eight Lu atoms. Sb is bonded in a 10-coordinate geometry to ten Lu atoms.

36 MATERIALS SCIENCE↗