Materials Data on LaMgNi4 by Materials Project

Abstract

LaMgNi4 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 La and twelve equivalent Ni atoms. All Mg–La bond lengths are 3.08 Å. All Mg–Ni bond lengths are 2.95 Å. La is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Ni atoms. All La–Ni bond lengths are 2.96 Å. Ni is bonded to three equivalent Mg, three equivalent La, and six equivalent Ni atoms to form a mixture of edge, corner, and face-sharing NiLa3Mg3Ni6 cuboctahedra. There are three shorter (2.48 Å) and three longer (2.55 Å) Ni–Ni bond lengths.