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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ZrNiGe by Materials Project

ZrNiGe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to four equivalent Ni and four equivalent Ge atoms. All Zr–Ni bond lengths are 2.68 Å. All Zr–Ge bond lengths are 2.68 Å. Ni is bonded to four equivalent Zr atoms to form NiZr4 tetrahedra that share corners with four equivalent GeZr4 tetrahedra, corners with twelve equivalent NiZr4 tetrahedra, and edges with six equivalent GeZr4 tetrahedra. Ge is bonded to four equivalent Zr atoms to form GeZr4 tetrahedra that share corners with four equivalent NiZr4 tetrahedra, corners with twelve equivalent GeZr4 tetrahedra, and edges with six equivalent NiZr4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrNiGe by Materials Project

ZrNiGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to six equivalent Ni and five equivalent Ge atoms. There are a spread of Zr–Ni bond distances ranging from 2.88–3.12 Å. There are two shorter (2.77 Å) and three longer (2.80 Å) Zr–Ge bond lengths. Ni is bonded in a 12-coordinate geometry to six equivalent Zr, two equivalent Ni, and four equivalent Ge atoms. Both Ni–Ni bond lengths are 2.83 Å. There are a spread of Ni–Ge bond distances ranging from 2.43–2.55 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Zr and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗