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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MgSc2Tl by Materials Project

MgSc2Tl 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 3.10 Å. Sc is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tl atoms. All Sc–Tl bond lengths are 3.10 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgScTl by Materials Project

MgScTl is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to four equivalent Sc and six equivalent Tl atoms. All Mg–Sc bond lengths are 2.99 Å. All Mg–Tl bond lengths are 3.46 Å. Sc is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tl atoms. All Sc–Tl bond lengths are 2.99 Å. Tl is bonded to six equivalent Mg and four equivalent Sc atoms to form a mixture of distorted face and corner-sharing TlMg6Sc4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgScTl2 by Materials Project

MgScTl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgScTl2 ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to two equivalent Tl atoms. Both Mg–Tl bond lengths are 2.93 Å. Sc is bonded in a linear geometry to two equivalent Tl atoms. Both Sc–Tl bond lengths are 2.93 Å. Tl is bonded in a linear geometry to one Mg and one Sc atom.

36 MATERIALS SCIENCE↗