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DOE OSTI2020

Materials Data on DyBiPt by Materials Project

DyPtBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Dy is bonded to four equivalent Pt and six equivalent Bi atoms to form a mixture of distorted face and corner-sharing DyBi6Pt4 tetrahedra. All Dy–Pt bond lengths are 2.92 Å. All Dy–Bi bond lengths are 3.37 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Dy 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 Dy and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Dy5BiPt2 by Materials Project

Dy5Pt2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Pt and two equivalent Bi atoms to form distorted corner-sharing DyBi2Pt4 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. All Dy–Pt bond lengths are 3.02 Å. Both Dy–Bi bond lengths are 3.47 Å. In the second Dy site, Dy is bonded in a 5-coordinate geometry to three equivalent Pt and two equivalent Bi atoms. There are one shorter (2.94 Å) and two longer (2.98 Å) Dy–Pt bond lengths. Both Dy–Bi bond lengths are 3.34 Å. Pt is bonded in a 8-coordinate geometry to eight Dy atoms. Bi is bonded in a 10-coordinate geometry to ten Dy atoms.

36 MATERIALS SCIENCE↗