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DOE OSTI2020

Materials Data on HoBiPt by Materials Project

HoPtBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ho is bonded to four equivalent Pt and six equivalent Bi atoms to form a mixture of distorted face and corner-sharing HoBi6Pt4 tetrahedra. All Ho–Pt bond lengths are 2.91 Å. All Ho–Bi bond lengths are 3.36 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Bi atoms. All Pt–Bi bond lengths are 2.91 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ho5BiPt2 by Materials Project

Ho5Pt2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to four equivalent Pt and two equivalent Bi atoms to form distorted corner-sharing HoBi2Pt4 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. All Ho–Pt bond lengths are 3.01 Å. Both Ho–Bi bond lengths are 3.47 Å. In the second Ho site, Ho is bonded in a 5-coordinate geometry to three equivalent Pt and two equivalent Bi atoms. There are one shorter (2.93 Å) and two longer (2.97 Å) Ho–Pt bond lengths. Both Ho–Bi bond lengths are 3.33 Å. Pt is bonded in a 8-coordinate geometry to eight Ho atoms. Bi is bonded in a 10-coordinate geometry to ten Ho atoms.

36 MATERIALS SCIENCE↗