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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LuSnAu by Materials Project

LuAuSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Lu is bonded in a 3-coordinate geometry to three equivalent Au and six equivalent Sn atoms. All Lu–Au bond lengths are 2.95 Å. There are three shorter (3.18 Å) and three longer (3.36 Å) Lu–Sn bond lengths. Au is bonded in a 10-coordinate geometry to three equivalent Lu and four equivalent Sn atoms. There are three shorter (2.81 Å) and one longer (2.89 Å) Au–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Lu and four equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuSnAu by Materials Project

LuAuSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Lu is bonded to four equivalent Au and six equivalent Sn atoms to form a mixture of distorted face and corner-sharing LuSn6Au4 tetrahedra. All Lu–Au bond lengths are 2.88 Å. All Lu–Sn bond lengths are 3.33 Å. Au is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Sn atoms. All Au–Sn bond lengths are 2.88 Å. Sn is bonded in a 4-coordinate geometry to six equivalent Lu and four equivalent Au atoms.

36 MATERIALS SCIENCE↗