Materials Data on TaBiRu by Materials Project

Abstract

TaRuBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Bi atoms. All Ta–Ru bond lengths are 2.79 Å. All Ta–Bi bond lengths are 2.79 Å. Ru is bonded to four equivalent Ta atoms to form distorted RuTa4 tetrahedra that share corners with four equivalent BiTa4 tetrahedra, corners with twelve equivalent RuTa4 tetrahedra, and edges with six equivalent BiTa4 tetrahedra. Bi is bonded to four equivalent Ta atoms to form distorted BiTa4 tetrahedra that share corners with four equivalent RuTa4 tetrahedra, corners with twelve equivalent BiTa4 tetrahedra, and edges with six equivalent RuTa4 tetrahedra.