Materials Data on Hf3In4 by Materials Project

Abstract

Hf3In4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 10-coordinate geometry to six Hf and four equivalent In atoms. There are four shorter (3.09 Å) and two longer (3.12 Å) Hf–Hf bond lengths. All Hf–In bond lengths are 3.07 Å. In the second Hf site, Hf is bonded to four Hf and eight equivalent In atoms to form a mixture of distorted corner, edge, and face-sharing HfHf4In8 cuboctahedra. Both Hf–Hf bond lengths are 3.12 Å. All Hf–In bond lengths are 3.13 Å. In is bonded in a 10-coordinate geometry to five Hf atoms.