Materials Data on Pr3Er by Materials Project

Abstract

ErPr3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded to twelve Pr atoms to form ErPr12 cuboctahedra that share corners with four equivalent ErPr12 cuboctahedra, corners with eight equivalent PrPr8Er4 cuboctahedra, edges with eight equivalent ErPr12 cuboctahedra, edges with sixteen equivalent PrPr8Er4 cuboctahedra, faces with four equivalent ErPr12 cuboctahedra, and faces with fourteen PrPr8Er4 cuboctahedra. There are four shorter (3.66 Å) and eight longer (3.68 Å) Er–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Er and eight Pr atoms to form PrPr8Er4 cuboctahedra that share corners with twelve equivalent PrPr8Er4 cuboctahedra, edges with eight equivalent ErPr12 cuboctahedra, edges with sixteen PrPr8Er4 cuboctahedra, faces with four equivalent ErPr12 cuboctahedra, and faces with fourteen PrPr8Er4 cuboctahedra. There are four shorter (3.66 Å) and four longer (3.68 Å) Pr–Pr bond lengths. In the second Pr site, Pr is bonded to four equivalent Er and eight equivalent Pr atoms to form PrPr8Er4 cuboctahedra that share corners with four equivalent PrPr8Er4 cuboctahedra, corners with eight equivalent ErPr12 cuboctahedra, edges with twenty-four PrPr8Er4 cuboctahedra, faces with six equivalent ErPr12 cuboctahedra, and faces with twelve PrPr8Er4 cuboctahedra.