Materials Data on Ac3Y by Materials Project

Abstract

Ac3Y is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Y atoms to form AcAc8Y4 cuboctahedra that share corners with twelve equivalent AcAc8Y4 cuboctahedra, edges with eight equivalent YAc12 cuboctahedra, edges with sixteen AcAc8Y4 cuboctahedra, faces with four equivalent YAc12 cuboctahedra, and faces with fourteen AcAc8Y4 cuboctahedra. All Ac–Ac bond lengths are 3.90 Å. All Ac–Y bond lengths are 3.90 Å. In the second Ac site, Ac is bonded to eight equivalent Ac and four equivalent Y atoms to form AcAc8Y4 cuboctahedra that share corners with four equivalent AcAc8Y4 cuboctahedra, corners with eight equivalent YAc12 cuboctahedra, edges with twenty-four AcAc8Y4 cuboctahedra, faces with six equivalent YAc12 cuboctahedra, and faces with twelve AcAc8Y4 cuboctahedra. All Ac–Y bond lengths are 3.90 Å. Y is bonded to twelve Ac atoms to form YAc12 cuboctahedra that share corners with four equivalent YAc12 cuboctahedra, corners with eight equivalent AcAc8Y4 cuboctahedra, edges with eight equivalent YAc12 cuboctahedra, edges with sixteen equivalent AcAc8Y4 cuboctahedra, faces with four equivalent YAc12 cuboctahedra, and faces with fourteen AcAc8Y4 cuboctahedra.