Materials Data on Cu3Ni by Materials Project

Abstract

NiCu3 is Tungsten-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ni is bonded in a distorted body-centered cubic geometry to four equivalent Ni and four equivalent Cu atoms. All Ni–Ni bond lengths are 2.46 Å. All Ni–Cu bond lengths are 2.43 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted body-centered cubic geometry to two equivalent Ni and six Cu atoms. There are four shorter (2.46 Å) and two longer (2.50 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded in a distorted body-centered cubic geometry to eight Cu atoms. All Cu–Cu bond lengths are 2.46 Å.