Materials Data on Yb4Y by Materials Project

Abstract

Yb4Y crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are seven inequivalent Yb sites. In the first Yb site, Yb is bonded to nine Yb and three equivalent Y atoms to form YbYb9Y3 cuboctahedra that share corners with twelve YbYb9Y3 cuboctahedra, edges with six equivalent YYb6Y6 cuboctahedra, edges with eighteen YbYb9Y3 cuboctahedra, faces with six equivalent YYb6Y6 cuboctahedra, and faces with twelve YbYb9Y3 cuboctahedra. There are six shorter (3.75 Å) and three longer (3.88 Å) Yb–Yb bond lengths. All Yb–Y bond lengths are 3.70 Å. In the second Yb site, Yb is bonded to twelve Yb atoms to form YbYb12 cuboctahedra that share corners with three equivalent YYb6Y6 cuboctahedra, corners with nine YbYb9Y3 cuboctahedra, edges with three equivalent YYb6Y6 cuboctahedra, edges with twenty-one YbYb9Y3 cuboctahedra, and faces with eighteen YbYb9Y3 cuboctahedra. There are six shorter (3.75 Å) and three longer (3.84 Å) Yb–Yb bond lengths. In the third Yb site, Yb is bonded to twelve Yb atoms to form YbYb12 cuboctahedra that share corners with three equivalent YYb6Y6 cuboctahedra, corners with nine YbYb9Y3 cuboctahedra, edges with three equivalent YYb6Y6 cuboctahedra, edges with twenty-one YbYb9Y3 cuboctahedra, and faces with eighteen YbYb9Y3 cuboctahedra. There are six shorter (3.75 Å) and three longer (3.88 Å) Yb–Yb bond lengths. In the fourth Yb site, Yb is bonded to twelve Yb atoms to form YbYb12 cuboctahedra that share corners with three equivalent YYb6Y6 cuboctahedra, corners with nine YbYb9Y3 cuboctahedra, edges with three equivalent YYb6Y6 cuboctahedra, edges with twenty-one YbYb9Y3 cuboctahedra, and faces with eighteen YbYb9Y3 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.75–3.88 Å. In the fifth Yb site, Yb is bonded to twelve Yb atoms to form YbYb12 cuboctahedra that share corners with three equivalent YYb6Y6 cuboctahedra, corners with nine YbYb9Y3 cuboctahedra, edges with three equivalent YYb6Y6 cuboctahedra, edges with twenty-one YbYb9Y3 cuboctahedra, and faces with eighteen YbYb9Y3 cuboctahedra. There are six shorter (3.75 Å) and three longer (3.88 Å) Yb–Yb bond lengths. In the sixth Yb site, Yb is bonded to twelve Yb atoms to form YbYb12 cuboctahedra that share corners with three equivalent YYb6Y6 cuboctahedra, corners with nine YbYb9Y3 cuboctahedra, edges with three equivalent YYb6Y6 cuboctahedra, edges with twenty-one YbYb9Y3 cuboctahedra, and faces with eighteen YbYb9Y3 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.75–3.88 Å. In the seventh Yb site, Yb is bonded to twelve Yb atoms to form YbYb12 cuboctahedra that share corners with three equivalent YYb6Y6 cuboctahedra, corners with nine YbYb9Y3 cuboctahedra, edges with three equivalent YYb6Y6 cuboctahedra, edges with twenty-one YbYb9Y3 cuboctahedra, and faces with eighteen YbYb9Y3 cuboctahedra. There are six shorter (3.75 Å) and three longer (3.88 Å) Yb–Yb bond lengths. Y is bonded to six equivalent Yb and six equivalent Y atoms to form YYb6Y6 cuboctahedra that share corners with six YbYb12 cuboctahedra, corners with six equivalent YYb6Y6 cuboctahedra, edges with six equivalent YYb6Y6 cuboctahedra, edges with eighteen YbYb9Y3 cuboctahedra, faces with six equivalent YYb6Y6 cuboctahedra, and faces with twelve equivalent YbYb9Y3 cuboctahedra. All Y–Y bond lengths are 3.75 Å.