Materials Data on CeMgNi4 by Materials Project

Abstract

CeMgNi4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Ce and twelve equivalent Ni atoms. All Mg–Ce bond lengths are 3.04 Å. All Mg–Ni bond lengths are 2.91 Å. Ce is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Ni atoms. All Ce–Ni bond lengths are 2.91 Å. Ni is bonded to three equivalent Mg, three equivalent Ce, and six equivalent Ni atoms to form a mixture of edge, face, and corner-sharing NiCe3Mg3Ni6 cuboctahedra. There are three shorter (2.46 Å) and three longer (2.50 Å) Ni–Ni bond lengths.