Materials Data on Hf2InPd2 by Materials Project

Abstract

Hf2Pd2In crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are two shorter (2.76 Å) and four longer (2.85 Å) Hf–Pd bond lengths. All Hf–In bond lengths are 3.32 Å. In the second Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are two shorter (2.75 Å) and four longer (2.82 Å) Hf–Pd bond lengths. All Hf–In bond lengths are 3.24 Å. Pd is bonded in a 6-coordinate geometry to six Hf and two equivalent In atoms. Both Pd–In bond lengths are 2.97 Å. In is bonded in a 12-coordinate geometry to eight Hf, four equivalent Pd, and two equivalent In atoms. Both In–In bond lengths are 3.38 Å.