Materials Data on Sc2InPd2 by Materials Project

Abstract

Sc2Pd2In crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are two shorter (2.74 Å) and four longer (2.89 Å) Sc–Pd bond lengths. All Sc–In bond lengths are 3.31 Å. In the second Sc site, Sc is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are two shorter (2.74 Å) and four longer (2.85 Å) Sc–Pd bond lengths. All Sc–In bond lengths are 3.24 Å. Pd is bonded in a 6-coordinate geometry to six Sc and two equivalent In atoms. Both Pd–In bond lengths are 2.97 Å. In is bonded in a 12-coordinate geometry to eight Sc and four equivalent Pd atoms.