Materials Data on TaPRu by Materials Project

Abstract

TaRuP 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 P atoms. All Ta–Ru bond lengths are 2.58 Å. All Ta–P bond lengths are 2.58 Å. Ru is bonded to four equivalent Ta atoms to form RuTa4 tetrahedra that share corners with four equivalent PTa4 tetrahedra, corners with twelve equivalent RuTa4 tetrahedra, and edges with six equivalent PTa4 tetrahedra. P is bonded to four equivalent Ta atoms to form PTa4 tetrahedra that share corners with four equivalent RuTa4 tetrahedra, corners with twelve equivalent PTa4 tetrahedra, and edges with six equivalent RuTa4 tetrahedra.