Materials Data on LaLuO3 by Materials Project

Abstract

LaLuO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu3+ is bonded to six O2- atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedra tilt angles range from 37–40°. There are a spread of Lu–O bond distances ranging from 2.20–2.23 Å. La3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.37–3.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Lu3+ and three equivalent La3+ atoms. In the second O2- site, O2- is bonded to two equivalent Lu3+ and two equivalent La3+ atoms to form distorted corner-sharing OLa2Lu2 tetrahedra.