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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LuCuSn by Materials Project

LuCuSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Sn atoms. There are three shorter (2.87 Å) and three longer (3.49 Å) Lu–Cu bond lengths. There are three shorter (3.07 Å) and three longer (3.22 Å) Lu–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Lu and four equivalent Sn atoms. There are three shorter (2.68 Å) and one longer (2.87 Å) Cu–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Lu and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuCuSn by Materials Project

LuCuSn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded to six equivalent Cu and six equivalent Sn atoms to form a mixture of edge and face-sharing LuCu6Sn6 cuboctahedra. All Lu–Cu bond lengths are 3.15 Å. All Lu–Sn bond lengths are 3.15 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent Sn atoms. All Cu–Sn bond lengths are 2.59 Å. Sn is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuCuSn by Materials Project

LuCuSn crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Lu is bonded in a 9-coordinate geometry to six equivalent Cu and three equivalent Sn atoms. There are three shorter (2.95 Å) and three longer (3.11 Å) Lu–Cu bond lengths. All Lu–Sn bond lengths are 3.08 Å. Cu is bonded in a 10-coordinate geometry to six equivalent Lu, three equivalent Cu, and one Sn atom. All Cu–Cu bond lengths are 2.63 Å. The Cu–Sn bond length is 3.02 Å. Sn is bonded in a 7-coordinate geometry to three equivalent Lu, one Cu, and three equivalent Sn atoms. All Sn–Sn bond lengths are 2.87 Å.

36 MATERIALS SCIENCE↗