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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ScGaRh2 by Materials Project

ScRh2Ga 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 atoms. All Sc–Rh bond lengths are 2.71 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.71 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc6Ga16Rh7 by Materials Project

Sc6Rh7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Rh and eight Ga atoms. All Sc–Rh bond lengths are 3.16 Å. There are four shorter (2.89 Å) and four longer (3.01 Å) Sc–Ga bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to four equivalent Sc and eight Ga atoms to form a mixture of distorted corner and face-sharing RhSc4Ga8 cuboctahedra. There are four shorter (2.55 Å) and four longer (2.73 Å) Rh–Ga bond lengths. In the second Rh site, Rh is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Rh–Ga bond lengths are 2.63 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Sc and three equivalent Rh atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to three equivalent Sc and four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2GaRh by Materials Project

Sc2RhGa crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2RhGa ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Rh and one Ga atom. The Sc–Rh bond length is 2.28 Å. The Sc–Ga bond length is 2.74 Å. Rh is bonded in a linear geometry to two equivalent Sc atoms. Ga is bonded in a linear geometry to two equivalent Sc atoms.

36 MATERIALS SCIENCE↗