Materials Data on YMg by Materials Project

Abstract

MgY is beta-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg is bonded to nine equivalent Mg and three equivalent Y atoms to form MgY3Mg9 cuboctahedra that share corners with six equivalent MgY3Mg9 cuboctahedra, corners with twelve equivalent YY9Mg3 cuboctahedra, edges with six equivalent YY9Mg3 cuboctahedra, edges with twelve equivalent MgY3Mg9 cuboctahedra, faces with eight equivalent YY9Mg3 cuboctahedra, and faces with twelve equivalent MgY3Mg9 cuboctahedra. There are three shorter (3.31 Å) and six longer (3.42 Å) Mg–Mg bond lengths. All Mg–Y bond lengths are 3.46 Å. Y is bonded to three equivalent Mg and nine equivalent Y atoms to form YY9Mg3 cuboctahedra that share corners with six equivalent YY9Mg3 cuboctahedra, corners with twelve equivalent MgY3Mg9 cuboctahedra, edges with six equivalent MgY3Mg9 cuboctahedra, edges with twelve equivalent YY9Mg3 cuboctahedra, faces with eight equivalent MgY3Mg9 cuboctahedra, and faces with twelve equivalent YY9Mg3 cuboctahedra. There are six shorter (3.42 Å) and three longer (3.51 Å) Y–Y bond lengths.