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DOE OSTI2020

Materials Data on Mg(ScGa)2 by Materials Project

Mg(ScGa)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a square co-planar geometry to four equivalent Ga atoms. All Mg–Ga bond lengths are 2.82 Å. Sc is bonded in a 6-coordinate geometry to six equivalent Ga atoms. There are two shorter (2.84 Å) and four longer (2.92 Å) Sc–Ga bond lengths. Ga is bonded in a 9-coordinate geometry to two equivalent Mg, six equivalent Sc, and one Ga atom. The Ga–Ga bond length is 2.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSc2Ga by Materials Project

MgSc2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. All Mg–Sc bond lengths are 2.98 Å. Sc is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Ga atoms. All Sc–Ga bond lengths are 2.98 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗