Materials Data on La3AlN by Materials Project

Abstract

La3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All La–Al bond lengths are 3.61 Å. Both La–N bond lengths are 2.55 Å. Al is bonded to twelve equivalent La atoms to form AlLa12 cuboctahedra that share corners with twelve equivalent AlLa12 cuboctahedra, faces with six equivalent AlLa12 cuboctahedra, and faces with eight equivalent NLa6 octahedra. N is bonded to six equivalent La atoms to form NLa6 octahedra that share corners with six equivalent NLa6 octahedra and faces with eight equivalent AlLa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.