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.