Materials Data on ZrIn2 by Materials Project

Abstract

ZrIn2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to ten In atoms. There are a spread of Zr–In bond distances ranging from 3.07–3.22 Å. There are two inequivalent In sites. In the first In site, In is bonded in a distorted square co-planar geometry to four equivalent Zr and four equivalent In atoms. There are two shorter (3.28 Å) and two longer (3.30 Å) In–In bond lengths. In the second In site, In is bonded to six equivalent Zr and six In atoms to form a mixture of distorted corner, edge, and face-sharing InZr6In6 cuboctahedra. Both In–In bond lengths are 3.02 Å.