Materials Data on NbInNi by Materials Project
NbNiIn is half-Heusler structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Nb is bonded in a body-centered cubic geometry to four equivalent Ni and four equivalent In atoms. All Nb–Ni bond lengths are 2.69 Å. All Nb–In bond lengths are 2.69 Å. Ni is bonded to four equivalent Nb and six equivalent In atoms to form distorted NiNb4In6 tetrahedra that share corners with four equivalent InNb4Ni6 tetrahedra, corners with six equivalent NiNb4In6 tetrahedra, edges with six equivalent InNb4Ni6 tetrahedra, and faces with twelve equivalent NiNb4In6 tetrahedra. There are two shorter (3.10 Å) and four longer (3.11 Å) Ni–In bond lengths. In is bonded to four equivalent Nb and six equivalent Ni atoms to form distorted InNb4Ni6 tetrahedra that share corners with four equivalent NiNb4In6 tetrahedra, corners with six equivalent InNb4Ni6 tetrahedra, edges with six equivalent NiNb4In6 tetrahedra, and faces with twelve equivalent InNb4Ni6 tetrahedra.