Materials Data on ZrInNi4 by Materials Project

Abstract

ZrNi4In is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent In atoms. All Zr–Ni bond lengths are 2.85 Å. All Zr–In bond lengths are 2.97 Å. Ni is bonded to three equivalent Zr, six equivalent Ni, and three equivalent In atoms to form a mixture of corner, edge, and face-sharing NiZr3In3Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.43 Å. All Ni–In bond lengths are 2.85 Å. In is bonded in a 4-coordinate geometry to four equivalent Zr and twelve equivalent Ni atoms.