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Materials Data on ScGaCu2 by Materials Project

ScCu2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted body-centered cubic geometry to eight equivalent Cu and six equivalent Ga atoms. All Sc–Cu bond lengths are 2.68 Å. All Sc–Ga bond lengths are 3.09 Å. Cu is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent Ga atoms. All Cu–Ga bond lengths are 2.68 Å. Ga is bonded in a distorted body-centered cubic geometry to six equivalent Sc and eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗

Materials Data on Sc2GaCu by Materials Project

Sc2CuGa 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 four equivalent Cu and four equivalent Ga atoms. All Sc–Cu bond lengths are 2.87 Å. All Sc–Ga bond lengths are 2.87 Å. Cu is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗

Materials Data on Sc2Ga3Cu by Materials Project

Sc2CuGa3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to two equivalent Cu and ten Ga atoms to form a mixture of edge and face-sharing ScGa10Cu2 cuboctahedra. Both Sc–Cu bond lengths are 2.94 Å. There are a spread of Sc–Ga bond distances ranging from 2.96–3.03 Å. In the second Sc site, Sc is bonded to four equivalent Cu and eight Ga atoms to form a mixture of edge and face-sharing ScGa8Cu4 cuboctahedra. All Sc–Cu bond lengths are 2.96 Å. There are a spread of Sc–Ga bond distances ranging from 2.90–2.99 Å. Cu is bonded in a 9-coordinate geometry to six Sc and three Ga atoms. There are one shorter (2.42 Å) and two longer (2.44 Å) Cu–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six Sc and three Ga atoms. All Ga–Ga bond lengths are 2.52 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Sc, two equivalent Cu, and one Ga atom. In the third Ga site, Ga is bonded in a 9-coordinate geometry to six Sc, one Cu, and two equivalent Ga atoms.

36 MATERIALS SCIENCE↗