Materials Data on Ac3Ce by Materials Project

Abstract

Ac3Ce 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 Ce atoms to form AcAc8Ce4 cuboctahedra that share corners with four equivalent CeAc12 cuboctahedra, corners with fourteen equivalent AcAc8Ce4 cuboctahedra, edges with six equivalent CeAc12 cuboctahedra, edges with twelve equivalent AcAc8Ce4 cuboctahedra, faces with four equivalent CeAc12 cuboctahedra, and faces with sixteen equivalent AcAc8Ce4 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 3.87–3.98 Å. There are two shorter (3.88 Å) and two longer (3.93 Å) Ac–Ce bond lengths. Ce is bonded to twelve equivalent Ac atoms to form CeAc12 cuboctahedra that share corners with six equivalent CeAc12 cuboctahedra, corners with twelve equivalent AcAc8Ce4 cuboctahedra, edges with eighteen equivalent AcAc8Ce4 cuboctahedra, faces with eight equivalent CeAc12 cuboctahedra, and faces with twelve equivalent AcAc8Ce4 cuboctahedra.