Materials Data on LaMnAlNi3 by Materials Project

Abstract

LaMnNi3Al crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to three equivalent Mn, twelve equivalent Ni, and three equivalent Al atoms. All La–Mn bond lengths are 3.02 Å. All La–Ni bond lengths are 3.27 Å. All La–Al bond lengths are 3.02 Å. Mn is bonded in a 12-coordinate geometry to three equivalent La and six equivalent Ni atoms. All Mn–Ni bond lengths are 2.48 Å. Ni is bonded to four equivalent La, two equivalent Mn, and two equivalent Al atoms to form a mixture of distorted face, edge, and corner-sharing NiLa4Mn2Al2 cuboctahedra. Both Ni–Al bond lengths are 2.48 Å. Al is bonded in a 12-coordinate geometry to three equivalent La and six equivalent Ni atoms.