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DOE OSTI2020

Materials Data on YbBiAu by Materials Project

YbAuBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Bi atoms. All Yb–Au bond lengths are 3.07 Å. All Yb–Bi bond lengths are 3.07 Å. Au is bonded to four equivalent Yb atoms to form AuYb4 tetrahedra that share corners with four equivalent BiYb4 tetrahedra, corners with twelve equivalent AuYb4 tetrahedra, and edges with six equivalent BiYb4 tetrahedra. Bi is bonded to four equivalent Yb atoms to form BiYb4 tetrahedra that share corners with four equivalent AuYb4 tetrahedra, corners with twelve equivalent BiYb4 tetrahedra, and edges with six equivalent AuYb4 tetrahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on YbBiAu by Materials Project

YbAuBi crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to three equivalent Au and six equivalent Bi atoms. All Yb–Au bond lengths are 3.10 Å. There are a spread of Yb–Bi bond distances ranging from 3.29–3.55 Å. Au is bonded in a 10-coordinate geometry to three equivalent Yb and four equivalent Bi atoms. There are a spread of Au–Bi bond distances ranging from 2.91–3.07 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Yb and four equivalent Au atoms.

36 MATERIALS SCIENCE↗