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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ScInCu4 by Materials Project

ScCu4In is Hexagonal Laves-derived structured and 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 In atoms. All Sc–Cu bond lengths are 2.93 Å. All Sc–In bond lengths are 3.07 Å. Cu is bonded to three equivalent Sc, six equivalent Cu, and three equivalent In atoms to form a mixture of edge, face, and corner-sharing CuSc3In3Cu6 cuboctahedra. There are three shorter (2.50 Å) and three longer (2.51 Å) Cu–Cu bond lengths. All Cu–In bond lengths are 2.94 Å. In is bonded in a 4-coordinate geometry to four equivalent Sc and twelve equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScInCu2 by Materials Project

ScCu2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Cu and six equivalent In atoms. All Sc–Cu bond lengths are 2.78 Å. All Sc–In bond lengths are 3.21 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent In atoms. All Cu–In bond lengths are 2.78 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Sc and eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2InCu2 by Materials Project

Sc2Cu2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sc is bonded in a 6-coordinate geometry to six equivalent Cu and four equivalent In atoms. There are two shorter (2.74 Å) and four longer (2.75 Å) Sc–Cu bond lengths. All Sc–In bond lengths are 3.21 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Sc, one Cu, and two equivalent In atoms. The Cu–Cu bond length is 2.57 Å. Both Cu–In bond lengths are 2.91 Å. In is bonded to eight equivalent Sc and four equivalent Cu atoms to form a mixture of distorted face and corner-sharing InSc8Cu4 cuboctahedra.

36 MATERIALS SCIENCE↗