Materials Data on La2ZnNiO6 by Materials Project

Abstract

La2NiZnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. La3+ is bonded in a 3-coordinate geometry to nine equivalent O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.78 Å. Ni4+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 22°. All Ni–O bond lengths are 1.89 Å. Zn2+ is bonded to six equivalent O2- atoms to form ZnO6 octahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 22°. All Zn–O bond lengths are 2.06 Å. O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Ni4+, and one Zn2+ atom.