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DOE OSTI2020

Materials Data on TmBiPt by Materials Project

TmPtBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tm is bonded to four equivalent Pt and six equivalent Bi atoms to form a mixture of distorted face and corner-sharing TmBi6Pt4 tetrahedra. All Tm–Pt bond lengths are 2.90 Å. All Tm–Bi bond lengths are 3.35 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Bi atoms. All Pt–Bi bond lengths are 2.90 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Tm5BiPt2 by Materials Project

Tm5Pt2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to four equivalent Pt and two equivalent Bi atoms to form distorted corner-sharing TmBi2Pt4 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. All Tm–Pt bond lengths are 2.97 Å. Both Tm–Bi bond lengths are 3.47 Å. In the second Tm site, Tm is bonded in a 5-coordinate geometry to three equivalent Pt and two equivalent Bi atoms. There are one shorter (2.90 Å) and two longer (2.95 Å) Tm–Pt bond lengths. Both Tm–Bi bond lengths are 3.30 Å. Pt is bonded in a 8-coordinate geometry to eight Tm atoms. Bi is bonded in a 10-coordinate geometry to ten Tm atoms.

36 MATERIALS SCIENCE↗