Materials Data on Ac3Zn by Materials Project

Abstract

Ac3Zn is Uranium Silicide-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 Zn atoms to form distorted AcAc8Zn4 cuboctahedra that share corners with twelve equivalent AcAc8Zn4 cuboctahedra, edges with eight equivalent AcAc8Zn4 cuboctahedra, edges with eight equivalent ZnAc12 cuboctahedra, faces with four equivalent ZnAc12 cuboctahedra, and faces with ten equivalent AcAc8Zn4 cuboctahedra. There are four shorter (3.64 Å) and four longer (3.79 Å) Ac–Ac bond lengths. All Ac–Zn bond lengths are 3.79 Å. In the second Ac site, Ac is bonded in a distorted square co-planar geometry to eight equivalent Ac and four equivalent Zn atoms. All Ac–Zn bond lengths are 3.64 Å. Zn is bonded to twelve Ac atoms to form ZnAc12 cuboctahedra that share corners with four equivalent ZnAc12 cuboctahedra, edges with eight equivalent ZnAc12 cuboctahedra, edges with sixteen equivalent AcAc8Zn4 cuboctahedra, faces with four equivalent ZnAc12 cuboctahedra, and faces with eight equivalent AcAc8Zn4 cuboctahedra.