Materials Data on NbAsRu by Materials Project

Abstract

NbRuAs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nb is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent As atoms. All Nb–Ru bond lengths are 2.63 Å. All Nb–As bond lengths are 2.63 Å. Ru is bonded to four equivalent Nb atoms to form RuNb4 tetrahedra that share corners with four equivalent AsNb4 tetrahedra, corners with twelve equivalent RuNb4 tetrahedra, and edges with six equivalent AsNb4 tetrahedra. As is bonded to four equivalent Nb atoms to form AsNb4 tetrahedra that share corners with four equivalent RuNb4 tetrahedra, corners with twelve equivalent AsNb4 tetrahedra, and edges with six equivalent RuNb4 tetrahedra.