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DOE OSTI2020

Materials Data on ScCuSn by Materials Project

ScCuSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Sn atoms. There are three shorter (2.81 Å) and three longer (3.41 Å) Sc–Cu bond lengths. There are three shorter (3.01 Å) and three longer (3.15 Å) Sc–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Sc and four equivalent Sn atoms. There are three shorter (2.64 Å) and one longer (2.76 Å) Cu–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Sc and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ScCu4Sn by Materials Project

ScCu4Sn crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to twelve equivalent Cu and four equivalent Sn atoms. All Sc–Cu bond lengths are 2.94 Å. All Sc–Sn bond lengths are 3.08 Å. Cu is bonded to three equivalent Sc, six equivalent Cu, and three equivalent Sn atoms to form a mixture of corner, edge, and face-sharing CuSc3Cu6Sn3 cuboctahedra. There are three shorter (2.50 Å) and three longer (2.52 Å) Cu–Cu bond lengths. All Cu–Sn bond lengths are 2.95 Å. Sn is bonded in a 4-coordinate geometry to four equivalent Sc and twelve equivalent Cu atoms.

36 MATERIALS SCIENCE↗