Materials Data on La3Ce by Materials Project

Abstract

CeLa3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded to twelve La atoms to form CeLa12 cuboctahedra that share corners with four equivalent CeLa12 cuboctahedra, corners with eight equivalent LaLa8Ce4 cuboctahedra, edges with eight equivalent CeLa12 cuboctahedra, edges with sixteen equivalent LaLa8Ce4 cuboctahedra, faces with four equivalent CeLa12 cuboctahedra, and faces with fourteen LaLa8Ce4 cuboctahedra. There are four shorter (3.57 Å) and eight longer (3.64 Å) Ce–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Ce and eight La atoms to form LaLa8Ce4 cuboctahedra that share corners with twelve equivalent LaLa8Ce4 cuboctahedra, edges with eight equivalent CeLa12 cuboctahedra, edges with sixteen LaLa8Ce4 cuboctahedra, faces with four equivalent CeLa12 cuboctahedra, and faces with fourteen LaLa8Ce4 cuboctahedra. There are four shorter (3.57 Å) and four longer (3.64 Å) La–La bond lengths. In the second La site, La is bonded to four equivalent Ce and eight equivalent La atoms to form LaLa8Ce4 cuboctahedra that share corners with four equivalent LaLa8Ce4 cuboctahedra, corners with eight equivalent CeLa12 cuboctahedra, edges with twenty-four LaLa8Ce4 cuboctahedra, faces with six equivalent CeLa12 cuboctahedra, and faces with twelve LaLa8Ce4 cuboctahedra.