Materials Data on Hf2InNi2 by Materials Project

Abstract

Hf2Ni2In 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 Ni and four equivalent In atoms. There are four shorter (2.65 Å) and two longer (2.67 Å) Hf–Ni bond lengths. All Hf–In bond lengths are 3.10 Å. In the second Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are two shorter (2.65 Å) and four longer (2.70 Å) Hf–Ni bond lengths. All Hf–In bond lengths are 3.14 Å. Ni is bonded in a 6-coordinate geometry to six Hf, one Ni, and two equivalent In atoms. The Ni–Ni bond length is 2.55 Å. Both Ni–In bond lengths are 2.82 Å. In is bonded in a 12-coordinate geometry to eight Hf, four equivalent Ni, and two equivalent In atoms. Both In–In bond lengths are 3.27 Å.