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DOE OSTI2020

Materials Data on ErBiPt by Materials Project

ErPtBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er is bonded to four equivalent Pt and six equivalent Bi atoms to form a mixture of distorted corner and face-sharing ErBi6Pt4 tetrahedra. All Er–Pt bond lengths are 2.91 Å. All Er–Bi bond lengths are 3.36 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Er 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 Er and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Er5BiPt2 by Materials Project

Er5Pt2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to four equivalent Pt and two equivalent Bi atoms to form distorted corner-sharing ErBi2Pt4 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. All Er–Pt bond lengths are 3.01 Å. Both Er–Bi bond lengths are 3.40 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to three equivalent Pt and two equivalent Bi atoms. There are one shorter (2.92 Å) and two longer (2.95 Å) Er–Pt bond lengths. Both Er–Bi bond lengths are 3.33 Å. Pt is bonded in a 8-coordinate geometry to eight Er atoms. Bi is bonded in a distorted q6 geometry to ten Er atoms.

36 MATERIALS SCIENCE↗