Materials Data on TbYb3 by Materials Project

Abstract

Yb3Tb is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Tb atoms to form YbTb4Yb8 cuboctahedra that share corners with four equivalent TbYb12 cuboctahedra, corners with fourteen equivalent YbTb4Yb8 cuboctahedra, edges with six equivalent TbYb12 cuboctahedra, edges with twelve equivalent YbTb4Yb8 cuboctahedra, faces with four equivalent TbYb12 cuboctahedra, and faces with sixteen equivalent YbTb4Yb8 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.67–3.84 Å. There are two shorter (3.70 Å) and two longer (3.76 Å) Yb–Tb bond lengths. Tb is bonded to twelve equivalent Yb atoms to form TbYb12 cuboctahedra that share corners with six equivalent TbYb12 cuboctahedra, corners with twelve equivalent YbTb4Yb8 cuboctahedra, edges with eighteen equivalent YbTb4Yb8 cuboctahedra, faces with eight equivalent TbYb12 cuboctahedra, and faces with twelve equivalent YbTb4Yb8 cuboctahedra.