Materials Data on Pr3Pa by Materials Project

Abstract

PaPr3 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 Pr atoms to form PaPr12 cuboctahedra that share corners with six equivalent PaPr12 cuboctahedra, corners with twelve equivalent PrPr8Pa4 cuboctahedra, edges with eighteen equivalent PrPr8Pa4 cuboctahedra, faces with eight equivalent PaPr12 cuboctahedra, and faces with twelve equivalent PrPr8Pa4 cuboctahedra. There are six shorter (3.58 Å) and six longer (3.59 Å) Pa–Pr bond lengths. Pr is bonded to four equivalent Pa and eight equivalent Pr atoms to form distorted PrPr8Pa4 cuboctahedra that share corners with four equivalent PaPr12 cuboctahedra, corners with fourteen equivalent PrPr8Pa4 cuboctahedra, edges with six equivalent PaPr12 cuboctahedra, edges with twelve equivalent PrPr8Pa4 cuboctahedra, faces with four equivalent PaPr12 cuboctahedra, and faces with sixteen equivalent PrPr8Pa4 cuboctahedra. There are a spread of Pr–Pr bond distances ranging from 3.52–3.67 Å.