Materials Data on PrEr3 by Materials Project
Er3Pr is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to eight Er and four equivalent Pr atoms to form ErPr4Er8 cuboctahedra that share corners with twelve equivalent ErPr4Er8 cuboctahedra, edges with eight equivalent PrEr12 cuboctahedra, edges with sixteen ErPr4Er8 cuboctahedra, faces with four equivalent PrEr12 cuboctahedra, and faces with fourteen ErPr4Er8 cuboctahedra. There are four shorter (3.56 Å) and four longer (3.58 Å) Er–Er bond lengths. All Er–Pr bond lengths are 3.56 Å. In the second Er site, Er is bonded to eight equivalent Er and four equivalent Pr atoms to form ErPr4Er8 cuboctahedra that share corners with four equivalent ErPr4Er8 cuboctahedra, corners with eight equivalent PrEr12 cuboctahedra, edges with twenty-four ErPr4Er8 cuboctahedra, faces with six equivalent PrEr12 cuboctahedra, and faces with twelve ErPr4Er8 cuboctahedra. All Er–Pr bond lengths are 3.58 Å. Pr is bonded to twelve Er atoms to form PrEr12 cuboctahedra that share corners with four equivalent PrEr12 cuboctahedra, corners with eight equivalent ErPr4Er8 cuboctahedra, edges with eight equivalent PrEr12 cuboctahedra, edges with sixteen equivalent ErPr4Er8 cuboctahedra, faces with four equivalent PrEr12 cuboctahedra, and faces with fourteen ErPr4Er8 cuboctahedra.