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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TaNiGe by Materials Project

TaNiGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta is bonded in a 5-coordinate geometry to six equivalent Ni and five equivalent Ge atoms. There are a spread of Ta–Ni bond distances ranging from 2.86–2.99 Å. There are a spread of Ta–Ge bond distances ranging from 2.69–2.72 Å. Ni is bonded in a 4-coordinate geometry to six equivalent Ta and four equivalent Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.35–2.41 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ta and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta6Ni16Ge7 by Materials Project

Ta6Ni16Ge7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a 12-coordinate geometry to eight Ni and four equivalent Ge atoms. There are four shorter (2.72 Å) and four longer (2.84 Å) Ta–Ni bond lengths. All Ta–Ge bond lengths are 2.93 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 1-coordinate geometry to three equivalent Ta, six Ni, and four Ge atoms. There are three shorter (2.61 Å) and three longer (2.69 Å) Ni–Ni bond lengths. There are one shorter (2.33 Å) and three longer (2.54 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ta, three equivalent Ni, and three equivalent Ge atoms. All Ni–Ge bond lengths are 2.34 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 Ta and eight Ni atoms to form a mixture of distorted face and corner-sharing GeTa4Ni8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta2Ni3Ge by Materials Project

Ta2Ni3Ge is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded in a 12-coordinate geometry to nine equivalent Ni and three equivalent Ge atoms. There are three shorter (2.75 Å) and six longer (2.86 Å) Ta–Ni bond lengths. All Ta–Ge bond lengths are 2.86 Å. Ni is bonded to six equivalent Ta, four equivalent Ni, and two equivalent Ge atoms to form NiTa6Ni4Ge2 cuboctahedra that share corners with four equivalent GeTa6Ni6 cuboctahedra, corners with fourteen equivalent NiTa6Ni4Ge2 cuboctahedra, edges with six equivalent NiTa6Ni4Ge2 cuboctahedra, faces with six equivalent GeTa6Ni6 cuboctahedra, and faces with twelve equivalent NiTa6Ni4Ge2 cuboctahedra. There are two shorter (2.38 Å) and two longer (2.52 Å) Ni–Ni bond lengths. Both Ni–Ge bond lengths are 2.42 Å. Ge is bonded to six equivalent Ta and six equivalent Ni atoms to form GeTa6Ni6 cuboctahedra that share corners with twelve equivalent NiTa6Ni4Ge2 cuboctahedra, edges with six equivalent GeTa6Ni6 cuboctahedra, faces with two equivalent GeTa6Ni6 cuboctahedra, and faces with eighteen equivalent NiTa6Ni4Ge2 cuboctahedra.

36 MATERIALS SCIENCE↗