Materials Data on InNi2 by Materials Project

Abstract

Ni2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to eight Ni and six equivalent In atoms. There are two shorter (2.63 Å) and six longer (2.81 Å) Ni–Ni bond lengths. All Ni–In bond lengths are 2.81 Å. In the second Ni site, Ni is bonded to six equivalent Ni and five equivalent In atoms to form a mixture of distorted corner and face-sharing NiIn5Ni6 trigonal bipyramids. There are three shorter (2.49 Å) and two longer (2.63 Å) Ni–In bond lengths. In is bonded in a 11-coordinate geometry to eleven Ni atoms.