Materials Data on Yb3Mg by Materials Project

Abstract

MgYb3 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 Yb atoms to form MgYb12 cuboctahedra that share corners with six equivalent MgYb12 cuboctahedra, corners with twelve equivalent YbYb8Mg4 cuboctahedra, edges with eighteen equivalent YbYb8Mg4 cuboctahedra, faces with eight equivalent MgYb12 cuboctahedra, and faces with twelve equivalent YbYb8Mg4 cuboctahedra. There are six shorter (3.65 Å) and six longer (3.67 Å) Mg–Yb bond lengths. Yb is bonded to four equivalent Mg and eight equivalent Yb atoms to form YbYb8Mg4 cuboctahedra that share corners with four equivalent MgYb12 cuboctahedra, corners with fourteen equivalent YbYb8Mg4 cuboctahedra, edges with six equivalent MgYb12 cuboctahedra, edges with twelve equivalent YbYb8Mg4 cuboctahedra, faces with four equivalent MgYb12 cuboctahedra, and faces with sixteen equivalent YbYb8Mg4 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.60–3.75 Å.