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DOE OSTI2020

Materials Data on Sc6Te2Rh by Materials Project

Sc6RhTe2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 4-coordinate geometry to two equivalent Rh and two equivalent Te atoms. Both Sc–Rh bond lengths are 2.68 Å. Both Sc–Te bond lengths are 3.02 Å. In the second Sc site, Sc is bonded in a 5-coordinate geometry to one Rh and four equivalent Te atoms. The Sc–Rh bond length is 3.06 Å. All Sc–Te bond lengths are 3.06 Å. Rh is bonded in a 9-coordinate geometry to nine Sc atoms. Te is bonded in a 9-coordinate geometry to nine Sc atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ScTeRh by Materials Project

ScRhTe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sc is bonded to four equivalent Rh and six equivalent Te atoms to form a mixture of distorted face and corner-sharing ScTe6Rh4 tetrahedra. All Sc–Rh bond lengths are 2.74 Å. All Sc–Te bond lengths are 3.16 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Te atoms. All Rh–Te bond lengths are 2.74 Å. Te is bonded in a 10-coordinate geometry to six equivalent Sc and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗