Materials Data on Ac3Ce by Materials Project

Abstract

Ac3Ce is alpha La-derived 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 Ce atoms to form AcAc8Ce4 cuboctahedra that share corners with twelve equivalent AcAc8Ce4 cuboctahedra, edges with eight equivalent CeAc12 cuboctahedra, edges with sixteen AcAc8Ce4 cuboctahedra, faces with four equivalent CeAc12 cuboctahedra, and faces with fourteen AcAc8Ce4 cuboctahedra. There are four shorter (3.73 Å) and four longer (3.74 Å) Ac–Ac bond lengths. All Ac–Ce bond lengths are 3.73 Å. In the second Ac site, Ac is bonded to eight equivalent Ac and four equivalent Ce atoms to form AcAc8Ce4 cuboctahedra that share corners with four equivalent AcAc8Ce4 cuboctahedra, corners with eight equivalent CeAc12 cuboctahedra, edges with twenty-four AcAc8Ce4 cuboctahedra, faces with six equivalent CeAc12 cuboctahedra, and faces with twelve AcAc8Ce4 cuboctahedra. All Ac–Ce bond lengths are 3.74 Å. Ce is bonded to twelve Ac atoms to form CeAc12 cuboctahedra that share corners with four equivalent CeAc12 cuboctahedra, corners with eight equivalent AcAc8Ce4 cuboctahedra, edges with eight equivalent CeAc12 cuboctahedra, edges with sixteen equivalent AcAc8Ce4 cuboctahedra, faces with four equivalent CeAc12 cuboctahedra, and faces with fourteen AcAc8Ce4 cuboctahedra.