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DOE OSTI2020

Materials Data on Tm2MgTl by Materials Project

MgTm2Tl 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 Tm atoms. All Mg–Tm bond lengths are 3.23 Å. Tm is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Tl atoms. All Tm–Tl bond lengths are 3.23 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on TmMgTl by Materials Project

MgTmTl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to four Tl atoms to form a mixture of distorted corner and edge-sharing MgTl4 tetrahedra. There are two shorter (2.88 Å) and two longer (2.96 Å) Mg–Tl bond lengths. Tm is bonded in a 5-coordinate geometry to five Tl atoms. There are one shorter (3.20 Å) and four longer (3.22 Å) Tm–Tl bond lengths. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Tm atoms. In the second Tl site, Tl is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Tm atoms.

36 MATERIALS SCIENCE↗