Materials Data on GdMgNi4 by Materials Project

Abstract

GdNi4Mg 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 Gd and twelve equivalent Ni atoms. All Mg–Gd bond lengths are 3.04 Å. All Mg–Ni bond lengths are 2.90 Å. Gd is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Ni atoms. All Gd–Ni bond lengths are 2.91 Å. Ni is bonded to three equivalent Mg, three equivalent Gd, and six equivalent Ni atoms to form a mixture of corner, edge, and face-sharing NiGd3Mg3Ni6 cuboctahedra. There are three shorter (2.45 Å) and three longer (2.50 Å) Ni–Ni bond lengths.