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DOE OSTI2020

Materials Data on MgCuSn by Materials Project

MgCuSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four equivalent Cu and six equivalent Sn atoms. All Mg–Cu bond lengths are 2.70 Å. All Mg–Sn bond lengths are 3.12 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.70 Å. Sn is bonded in a distorted q6 geometry to six equivalent Mg and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on MgCuSn by Materials Project

MgCuSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to six equivalent Cu and four equivalent Sn atoms to form a mixture of distorted corner and face-sharing MgCu6Sn4 tetrahedra. All Mg–Cu bond lengths are 3.20 Å. All Mg–Sn bond lengths are 2.77 Å. Cu is bonded in a distorted q6 geometry to six equivalent Mg and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.77 Å. Sn is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗