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Materials Data on Sc4Ge6Rh7 by Materials Project

Sc4Rh7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sc is bonded to six equivalent Rh and six equivalent Ge atoms to form ScGe6Rh6 cuboctahedra that share corners with twelve equivalent ScGe6Rh6 cuboctahedra, faces with six equivalent ScGe6Rh6 cuboctahedra, and faces with two equivalent RhGe6 octahedra. All Sc–Rh bond lengths are 2.90 Å. All Sc–Ge bond lengths are 2.94 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to six equivalent Ge atoms to form RhGe6 octahedra that share faces with eight equivalent ScGe6Rh6 cuboctahedra. All Rh–Ge bond lengths are 2.57 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to four equivalent Sc and four equivalent Ge atoms. All Rh–Ge bond lengths are 2.55 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sc and five Rh atoms.

36 MATERIALS SCIENCE↗

Materials Data on ScGeRh2 by Materials Project

ScRh2Ge is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Rh and six equivalent Ge atoms. All Sc–Rh bond lengths are 2.71 Å. All Sc–Ge bond lengths are 3.13 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Ge atoms. All Rh–Ge bond lengths are 2.71 Å. Ge is bonded in a distorted body-centered cubic geometry to six equivalent Sc and eight equivalent Rh atoms.

36 MATERIALS SCIENCE↗

Materials Data on ScGeRh by Materials Project

ScRhGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to six equivalent Rh and five equivalent Ge atoms. There are a spread of Sc–Rh bond distances ranging from 2.90–3.17 Å. There are four shorter (2.88 Å) and one longer (2.89 Å) Sc–Ge bond lengths. Rh is bonded in a 10-coordinate geometry to six equivalent Sc and four equivalent Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.50–2.55 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Sc and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗

Materials Data on ScGeRh by Materials Project

ScRhGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to six equivalent Rh and five Ge atoms. There are two shorter (2.97 Å) and four longer (3.11 Å) Sc–Rh bond lengths. There are four shorter (2.79 Å) and one longer (2.81 Å) Sc–Ge bond lengths. Rh is bonded in a 12-coordinate geometry to six equivalent Sc, two equivalent Rh, and four Ge atoms. Both Rh–Rh bond lengths are 2.86 Å. There are two shorter (2.53 Å) and two longer (2.59 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Sc and three equivalent Rh atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Sc and six equivalent Rh atoms.

36 MATERIALS SCIENCE↗