Materials Data on YbCe3 by Materials Project

Abstract

YbCe3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to twelve Ce atoms to form YbCe12 cuboctahedra that share corners with six equivalent YbCe12 cuboctahedra, corners with twelve CeYb4Ce8 cuboctahedra, edges with eighteen CeYb4Ce8 cuboctahedra, faces with eight equivalent YbCe12 cuboctahedra, and faces with twelve CeYb4Ce8 cuboctahedra. There are six shorter (3.55 Å) and six longer (3.57 Å) Yb–Ce bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Yb and eight Ce atoms to form CeYb4Ce8 cuboctahedra that share corners with four equivalent YbCe12 cuboctahedra, corners with fourteen equivalent CeYb4Ce8 cuboctahedra, edges with six equivalent YbCe12 cuboctahedra, edges with twelve CeYb4Ce8 cuboctahedra, faces with four equivalent YbCe12 cuboctahedra, and faces with sixteen CeYb4Ce8 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 3.41–3.71 Å. In the second Ce site, Ce is bonded to four equivalent Yb and eight Ce atoms to form CeYb4Ce8 cuboctahedra that share corners with four equivalent YbCe12 cuboctahedra, corners with fourteen CeYb4Ce8 cuboctahedra, edges with six equivalent YbCe12 cuboctahedra, edges with twelve CeYb4Ce8 cuboctahedra, faces with four equivalent YbCe12 cuboctahedra, and faces with sixteen CeYb4Ce8 cuboctahedra. There are one shorter (3.41 Å) and one longer (3.71 Å) Ce–Ce bond lengths.