Materials Data on Ac3Yb by Materials Project

Abstract

Ac3Yb is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded to eight equivalent Ac and four equivalent Yb atoms to form AcAc8Yb4 cuboctahedra that share corners with four equivalent YbAc12 cuboctahedra, corners with fourteen equivalent AcAc8Yb4 cuboctahedra, edges with six equivalent YbAc12 cuboctahedra, edges with twelve equivalent AcAc8Yb4 cuboctahedra, faces with four equivalent YbAc12 cuboctahedra, and faces with sixteen equivalent AcAc8Yb4 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 3.94–3.98 Å. There are two shorter (3.94 Å) and two longer (3.98 Å) Ac–Yb bond lengths. Yb is bonded to twelve equivalent Ac atoms to form YbAc12 cuboctahedra that share corners with six equivalent YbAc12 cuboctahedra, corners with twelve equivalent AcAc8Yb4 cuboctahedra, edges with eighteen equivalent AcAc8Yb4 cuboctahedra, faces with eight equivalent YbAc12 cuboctahedra, and faces with twelve equivalent AcAc8Yb4 cuboctahedra.