Materials Data on Ac3Pa by Materials Project

Abstract

PaAc3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa is bonded to twelve equivalent Ac atoms to form PaAc12 cuboctahedra that share corners with six equivalent PaAc12 cuboctahedra, corners with twelve equivalent AcAc8Pa4 cuboctahedra, edges with eighteen equivalent AcAc8Pa4 cuboctahedra, faces with eight equivalent PaAc12 cuboctahedra, and faces with twelve equivalent AcAc8Pa4 cuboctahedra. There are six shorter (3.77 Å) and six longer (3.82 Å) Pa–Ac bond lengths. Ac is bonded to four equivalent Pa and eight equivalent Ac atoms to form distorted AcAc8Pa4 cuboctahedra that share corners with four equivalent PaAc12 cuboctahedra, corners with fourteen equivalent AcAc8Pa4 cuboctahedra, edges with six equivalent PaAc12 cuboctahedra, edges with twelve equivalent AcAc8Pa4 cuboctahedra, faces with four equivalent PaAc12 cuboctahedra, and faces with sixteen equivalent AcAc8Pa4 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 3.70–3.95 Å.