Materials Data on Nb2Ni3Ge by Materials Project

Abstract

Nb2Ni3Ge is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded in a 12-coordinate geometry to four equivalent Nb, nine equivalent Ni, and three equivalent Ge atoms. There are one shorter (2.95 Å) and three longer (2.99 Å) Nb–Nb bond lengths. There are three shorter (2.79 Å) and six longer (2.87 Å) Nb–Ni bond lengths. All Nb–Ge bond lengths are 2.88 Å. Ni is bonded to six equivalent Nb, four equivalent Ni, and two equivalent Ge atoms to form NiNb6Ni4Ge2 cuboctahedra that share corners with four equivalent GeNb6Ni6 cuboctahedra, corners with fourteen equivalent NiNb6Ni4Ge2 cuboctahedra, edges with six equivalent NiNb6Ni4Ge2 cuboctahedra, faces with six equivalent GeNb6Ni6 cuboctahedra, and faces with twelve equivalent NiNb6Ni4Ge2 cuboctahedra. There are two shorter (2.39 Å) and two longer (2.52 Å) Ni–Ni bond lengths. Both Ni–Ge bond lengths are 2.43 Å. Ge is bonded to six equivalent Nb and six equivalent Ni atoms to form GeNb6Ni6 cuboctahedra that share corners with twelve equivalent NiNb6Ni4Ge2 cuboctahedra, edges with six equivalent GeNb6Ni6 cuboctahedra, faces with two equivalent GeNb6Ni6 cuboctahedra, and faces with eighteen equivalent NiNb6Ni4Ge2 cuboctahedra.