Materials Data on Ce3Pa by Materials Project

Abstract

PaCe3 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 Ce atoms to form PaCe12 cuboctahedra that share corners with six equivalent PaCe12 cuboctahedra, corners with twelve equivalent CeCe8Pa4 cuboctahedra, edges with eighteen equivalent CeCe8Pa4 cuboctahedra, faces with eight equivalent PaCe12 cuboctahedra, and faces with twelve equivalent CeCe8Pa4 cuboctahedra. There are six shorter (3.25 Å) and six longer (3.38 Å) Pa–Ce bond lengths. Ce is bonded to four equivalent Pa and eight equivalent Ce atoms to form distorted CeCe8Pa4 cuboctahedra that share corners with four equivalent PaCe12 cuboctahedra, corners with fourteen equivalent CeCe8Pa4 cuboctahedra, edges with six equivalent PaCe12 cuboctahedra, edges with twelve equivalent CeCe8Pa4 cuboctahedra, faces with four equivalent PaCe12 cuboctahedra, and faces with sixteen equivalent CeCe8Pa4 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 3.19–3.42 Å.