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DOE OSTI2020

Materials Data on YBiPt by Materials Project

YBiPt is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Y is bonded to four equivalent Pt and six equivalent Bi atoms to form a mixture of distorted corner and face-sharing YBi6Pt4 tetrahedra. All Y–Pt bond lengths are 2.92 Å. All Y–Bi bond lengths are 3.38 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Bi atoms. All Pt–Bi bond lengths are 2.92 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Y and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Y5BiPt2 by Materials Project

Y5Pt2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Pt and two equivalent Bi atoms to form distorted corner-sharing YBi2Pt4 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. All Y–Pt bond lengths are 3.03 Å. Both Y–Bi bond lengths are 3.49 Å. In the second Y site, Y is bonded in a 5-coordinate geometry to three equivalent Pt and two equivalent Bi atoms. There are one shorter (2.96 Å) and two longer (2.99 Å) Y–Pt bond lengths. Both Y–Bi bond lengths are 3.35 Å. Pt is bonded in a 8-coordinate geometry to eight Y atoms. Bi is bonded in a 10-coordinate geometry to ten Y atoms.

36 MATERIALS SCIENCE↗