Materials Data on La3Er by Materials Project

Abstract

ErLa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded to twelve La atoms to form ErLa12 cuboctahedra that share corners with four equivalent ErLa12 cuboctahedra, corners with eight equivalent LaLa8Er4 cuboctahedra, edges with eight equivalent ErLa12 cuboctahedra, edges with sixteen equivalent LaLa8Er4 cuboctahedra, faces with four equivalent ErLa12 cuboctahedra, and faces with fourteen LaLa8Er4 cuboctahedra. There are four shorter (3.68 Å) and eight longer (3.69 Å) Er–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Er and eight La atoms to form LaLa8Er4 cuboctahedra that share corners with twelve equivalent LaLa8Er4 cuboctahedra, edges with eight equivalent ErLa12 cuboctahedra, edges with sixteen LaLa8Er4 cuboctahedra, faces with four equivalent ErLa12 cuboctahedra, and faces with fourteen LaLa8Er4 cuboctahedra. There are four shorter (3.68 Å) and four longer (3.69 Å) La–La bond lengths. In the second La site, La is bonded to four equivalent Er and eight equivalent La atoms to form LaLa8Er4 cuboctahedra that share corners with four equivalent LaLa8Er4 cuboctahedra, corners with eight equivalent ErLa12 cuboctahedra, edges with twenty-four LaLa8Er4 cuboctahedra, faces with six equivalent ErLa12 cuboctahedra, and faces with twelve LaLa8Er4 cuboctahedra.