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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YMgTl by Materials Project

MgYTl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four Tl atoms. There are two shorter (2.93 Å) and two longer (2.98 Å) Mg–Tl bond lengths. Y is bonded in a 5-coordinate geometry to five Tl atoms. There are four shorter (3.25 Å) and one longer (3.26 Å) Y–Tl bond lengths. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Y atoms. In the second Tl site, Tl is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YMgTl by Materials Project

MgYTl is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to four equivalent Y atoms to form MgY4 tetrahedra that share corners with four equivalent TlY4 tetrahedra, corners with twelve equivalent MgY4 tetrahedra, and edges with six equivalent TlY4 tetrahedra. All Mg–Y bond lengths are 3.13 Å. Y is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tl atoms. All Y–Tl bond lengths are 3.13 Å. Tl is bonded to four equivalent Y atoms to form TlY4 tetrahedra that share corners with four equivalent MgY4 tetrahedra, corners with twelve equivalent TlY4 tetrahedra, and edges with six equivalent MgY4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2MgTl by Materials Project

MgY2Tl 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 Y atoms. All Mg–Y bond lengths are 3.28 Å. Y is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tl atoms. All Y–Tl bond lengths are 3.28 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Y atoms.

36 MATERIALS SCIENCE↗