Materials Data on Hf2InCu2 by Materials Project

Abstract

Hf2Cu2In 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 Cu and four equivalent In atoms. There are two shorter (2.69 Å) and four longer (2.80 Å) Hf–Cu bond lengths. All Hf–In bond lengths are 3.21 Å. In the second Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Cu and four equivalent In atoms. There are four shorter (2.72 Å) and two longer (2.73 Å) Hf–Cu bond lengths. All Hf–In bond lengths are 3.13 Å. Cu is bonded in a 9-coordinate geometry to six Hf, one Cu, and two equivalent In atoms. The Cu–Cu bond length is 2.51 Å. Both Cu–In bond lengths are 2.85 Å. In is bonded in a 12-coordinate geometry to eight Hf and four equivalent Cu atoms.