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Materials Data on TaPRu by Materials Project

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.

36 MATERIALS SCIENCE↗

Materials Data on TaPRu by Materials Project

TaRuP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta is bonded in a 5-coordinate geometry to six equivalent Ru and five equivalent P atoms. There are a spread of Ta–Ru bond distances ranging from 2.88–2.93 Å. There are a spread of Ta–P bond distances ranging from 2.64–2.72 Å. Ru is bonded in a 12-coordinate geometry to six equivalent Ta, two equivalent Ru, and four equivalent P atoms. Both Ru–Ru bond lengths are 2.78 Å. There are a spread of Ru–P bond distances ranging from 2.37–2.43 Å. P is bonded in a 9-coordinate geometry to five equivalent Ta and four equivalent Ru atoms.

36 MATERIALS SCIENCE↗