Materials Data on Ta2Ni3Ge by Materials Project

Abstract

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.