Materials Data on Y3Mg by Materials Project

Abstract

MgY3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Y atoms to form MgY12 cuboctahedra that share corners with six equivalent MgY12 cuboctahedra, corners with twelve equivalent YY8Mg4 cuboctahedra, edges with eighteen equivalent YY8Mg4 cuboctahedra, faces with eight equivalent MgY12 cuboctahedra, and faces with twelve equivalent YY8Mg4 cuboctahedra. There are six shorter (3.44 Å) and six longer (3.52 Å) Mg–Y bond lengths. Y is bonded to four equivalent Mg and eight equivalent Y atoms to form YY8Mg4 cuboctahedra that share corners with four equivalent MgY12 cuboctahedra, corners with fourteen equivalent YY8Mg4 cuboctahedra, edges with six equivalent MgY12 cuboctahedra, edges with twelve equivalent YY8Mg4 cuboctahedra, faces with four equivalent MgY12 cuboctahedra, and faces with sixteen equivalent YY8Mg4 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.45–3.59 Å.