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DOE OSTI2020

Materials Data on Dy2MgGa by Materials Project

MgDy2Ga 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 Dy atoms. All Mg–Dy bond lengths are 3.16 Å. Dy is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Ga atoms. All Dy–Ga bond lengths are 3.16 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on DyMgGa by Materials Project

MgDyGa crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to four Ga atoms to form a mixture of distorted corner and edge-sharing MgGa4 tetrahedra. There are two shorter (2.81 Å) and two longer (2.84 Å) Mg–Ga bond lengths. Dy is bonded in a 5-coordinate geometry to five Ga atoms. There are one shorter (3.08 Å) and four longer (3.11 Å) Dy–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Dy atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Dy atoms.

36 MATERIALS SCIENCE↗