Materials Data on CuNi3 by Materials Project

Abstract

Ni3Cu is Tungsten-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted body-centered cubic geometry to six Ni and two equivalent Cu atoms. There are two shorter (2.39 Å) and four longer (2.43 Å) Ni–Ni bond lengths. Both Ni–Cu bond lengths are 2.46 Å. In the second Ni site, Ni is bonded in a distorted body-centered cubic geometry to eight Ni atoms. All Ni–Ni bond lengths are 2.43 Å. Cu is bonded in a distorted body-centered cubic geometry to four equivalent Ni and four equivalent Cu atoms. All Cu–Cu bond lengths are 2.43 Å.