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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TiNiGe by Materials Project

TiNiGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to six equivalent Ni and five equivalent Ge atoms. There are a spread of Ti–Ni bond distances ranging from 2.77–3.00 Å. There are a spread of Ti–Ge bond distances ranging from 2.62–2.69 Å. Ni is bonded in a 12-coordinate geometry to six equivalent Ti, two equivalent Ni, and four equivalent Ge atoms. Both Ni–Ni bond lengths are 2.69 Å. There are a spread of Ni–Ge bond distances ranging from 2.37–2.43 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ti and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti6Ni16Ge7 by Materials Project

Ti6Ni16Ge7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to eight Ni and four equivalent Ge atoms. There are four shorter (2.69 Å) and four longer (2.84 Å) Ti–Ni bond lengths. All Ti–Ge bond lengths are 2.92 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 1-coordinate geometry to three equivalent Ti, six Ni, and four Ge atoms. There are three shorter (2.59 Å) and three longer (2.69 Å) Ni–Ni bond lengths. There are one shorter (2.33 Å) and three longer (2.52 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ti, three equivalent Ni, and three equivalent Ge atoms. All Ni–Ge bond lengths are 2.33 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. In the second Ge site, Ge is bonded to four equivalent Ti and eight Ni atoms to form a mixture of distorted face and corner-sharing GeTi4Ni8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiNiGe by Materials Project

TiNiGe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to four equivalent Ni and four equivalent Ge atoms. All Ti–Ni bond lengths are 2.53 Å. All Ti–Ge bond lengths are 2.53 Å. Ni is bonded to four equivalent Ti atoms to form distorted NiTi4 tetrahedra that share corners with four equivalent GeTi4 tetrahedra, corners with twelve equivalent NiTi4 tetrahedra, and edges with six equivalent GeTi4 tetrahedra. Ge is bonded to four equivalent Ti atoms to form distorted GeTi4 tetrahedra that share corners with four equivalent NiTi4 tetrahedra, corners with twelve equivalent GeTi4 tetrahedra, and edges with six equivalent NiTi4 tetrahedra.

36 MATERIALS SCIENCE↗