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DOE OSTI2020

Materials Data on TmSbPt by Materials Project

TmPtSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tm3+ is bonded to four equivalent Pt2- and six equivalent Sb1- atoms to form a mixture of distorted corner and face-sharing TmSb6Pt4 tetrahedra. All Tm–Pt bond lengths are 2.84 Å. All Tm–Sb bond lengths are 3.28 Å. Pt2- is bonded in a body-centered cubic geometry to four equivalent Tm3+ and four equivalent Sb1- atoms. All Pt–Sb bond lengths are 2.84 Å. Sb1- is bonded in a 10-coordinate geometry to six equivalent Tm3+ and four equivalent Pt2- atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Tm5SbPt2 by Materials Project

Tm5Pt2Sb 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 Sb atoms to form distorted corner-sharing TmSb2Pt4 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. All Tm–Pt bond lengths are 2.96 Å. Both Tm–Sb bond lengths are 3.42 Å. In the second Tm site, Tm is bonded in a 5-coordinate geometry to three equivalent Pt and two equivalent Sb atoms. There are one shorter (2.89 Å) and two longer (2.95 Å) Tm–Pt bond lengths. Both Tm–Sb bond lengths are 3.25 Å. Pt is bonded in a 8-coordinate geometry to eight Tm atoms. Sb is bonded in a 10-coordinate geometry to ten Tm atoms.

36 MATERIALS SCIENCE↗