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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaMgTl by Materials Project

MgLaTl 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 (3.05 Å) and two longer (3.09 Å) Mg–Tl bond lengths. La is bonded in a 5-coordinate geometry to five Tl atoms. There are one shorter (3.35 Å) and four longer (3.38 Å) La–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 La atoms. In the second Tl site, Tl is bonded in a distorted q6 geometry to six equivalent Mg and three equivalent La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaMgTl by Materials Project

MgLaTl is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent La and four equivalent Tl atoms. All Mg–La bond lengths are 3.11 Å. All Mg–Tl bond lengths are 3.11 Å. La is bonded in a 10-coordinate geometry to four equivalent Mg and six equivalent Tl atoms. All La–Tl bond lengths are 3.59 Å. Tl is bonded in a 4-coordinate geometry to four equivalent Mg and six equivalent La atoms.

36 MATERIALS SCIENCE↗