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Materials Data on TaGeRh by Materials Project

TaRhGe 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 Rh and four equivalent Ge atoms. All Ta–Rh bond lengths are 2.64 Å. All Ta–Ge bond lengths are 2.64 Å. Rh is bonded to four equivalent Ta and six equivalent Ge atoms to form distorted RhTa4Ge6 tetrahedra that share corners with four equivalent GeTa4Rh6 tetrahedra, corners with six equivalent RhTa4Ge6 tetrahedra, edges with six equivalent GeTa4Rh6 tetrahedra, and faces with twelve equivalent RhTa4Ge6 tetrahedra. All Rh–Ge bond lengths are 3.05 Å. Ge is bonded to four equivalent Ta and six equivalent Rh atoms to form distorted GeTa4Rh6 tetrahedra that share corners with four equivalent RhTa4Ge6 tetrahedra, corners with six equivalent GeTa4Rh6 tetrahedra, edges with six equivalent RhTa4Ge6 tetrahedra, and faces with twelve equivalent GeTa4Rh6 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on TaGeRh by Materials Project

TaRhGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta is bonded in a 11-coordinate geometry to six equivalent Rh and five equivalent Ge atoms. There are a spread of Ta–Rh bond distances ranging from 2.96–3.07 Å. There are three shorter (2.72 Å) and two longer (2.80 Å) Ta–Ge bond lengths. Rh is bonded in a 12-coordinate geometry to six equivalent Ta, two equivalent Rh, and four equivalent Ge atoms. Both Rh–Rh bond lengths are 2.85 Å. There are a spread of Rh–Ge bond distances ranging from 2.46–2.54 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ta and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗