Materials Data on SrLa3 by Materials Project

Abstract

SrLa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded to twelve La atoms to form SrLa12 cuboctahedra that share corners with four equivalent SrLa12 cuboctahedra, corners with eight equivalent LaSr4La8 cuboctahedra, edges with eight equivalent SrLa12 cuboctahedra, edges with sixteen equivalent LaSr4La8 cuboctahedra, faces with four equivalent SrLa12 cuboctahedra, and faces with fourteen LaSr4La8 cuboctahedra. There are four shorter (3.84 Å) and eight longer (3.85 Å) Sr–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Sr and eight La atoms to form LaSr4La8 cuboctahedra that share corners with twelve equivalent LaSr4La8 cuboctahedra, edges with eight equivalent SrLa12 cuboctahedra, edges with sixteen LaSr4La8 cuboctahedra, faces with four equivalent SrLa12 cuboctahedra, and faces with fourteen LaSr4La8 cuboctahedra. There are four shorter (3.84 Å) and four longer (3.85 Å) La–La bond lengths. In the second La site, La is bonded to four equivalent Sr and eight equivalent La atoms to form LaSr4La8 cuboctahedra that share corners with four equivalent LaSr4La8 cuboctahedra, corners with eight equivalent SrLa12 cuboctahedra, edges with twenty-four LaSr4La8 cuboctahedra, faces with six equivalent SrLa12 cuboctahedra, and faces with twelve LaSr4La8 cuboctahedra.