Materials Data on CaLaAl4 by Materials Project

Abstract

CaLaAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to four equivalent La and twelve equivalent Al atoms. All Ca–La bond lengths are 3.50 Å. All Ca–Al bond lengths are 3.35 Å. La is bonded in a 12-coordinate geometry to four equivalent Ca and twelve equivalent Al atoms. All La–Al bond lengths are 3.35 Å. Al is bonded to three equivalent Ca, three equivalent La, and six equivalent Al atoms to form a mixture of face, edge, and corner-sharing AlCa3La3Al6 cuboctahedra. All Al–Al bond lengths are 2.86 Å.