Materials Data on LaYMg4 by Materials Project

Abstract

Mg4LaY is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg, three equivalent La, and three equivalent Y atoms to form a mixture of corner, edge, and face-sharing MgLa3Y3Mg6 cuboctahedra. There are three shorter (3.06 Å) and three longer (3.07 Å) Mg–Mg bond lengths. All Mg–La bond lengths are 3.59 Å. All Mg–Y bond lengths are 3.59 Å. La is bonded in a 12-coordinate geometry to twelve equivalent Mg and four equivalent Y atoms. All La–Y bond lengths are 3.75 Å. Y is bonded in a 12-coordinate geometry to twelve equivalent Mg and four equivalent La atoms.