Materials Data on In(Ni11B3)2 by Materials Project

Abstract

In(Ni11B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted trigonal non-coplanar geometry to one Ni and three equivalent B atoms. The Ni–Ni bond length is 2.41 Å. All Ni–B bond lengths are 2.09 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to one In and two equivalent B atoms. The Ni–In bond length is 2.56 Å. Both Ni–B bond lengths are 2.11 Å. In the third Ni site, Ni is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. In is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. B is bonded in a 8-coordinate geometry to eight Ni atoms.