Materials Data on Ac3Mo by Materials Project

Ac3Mo 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 Mo atoms to form distorted AcAc8Mo4 cuboctahedra that share corners with twelve equivalent AcAc8Mo4 cuboctahedra, edges with eight equivalent AcAc8Mo4 cuboctahedra, edges with eight equivalent MoAc12 cuboctahedra, faces with four equivalent MoAc12 cuboctahedra, and faces with ten equivalent AcAc8Mo4 cuboctahedra. There are four shorter (3.57 Å) and four longer (3.70 Å) Ac–Ac bond lengths. All Ac–Mo bond lengths are 3.70 Å. In the second Ac site, Ac is bonded in a square co-planar geometry to eight equivalent Ac and four equivalent Mo atoms. All Ac–Mo bond lengths are 3.57 Å. Mo is bonded to twelve Ac atoms to form MoAc12 cuboctahedra that share corners with four equivalent MoAc12 cuboctahedra, edges with eight equivalent MoAc12 cuboctahedra, edges with sixteen equivalent AcAc8Mo4 cuboctahedra, faces with four equivalent MoAc12 cuboctahedra, and faces with eight equivalent AcAc8Mo4 cuboctahedra.