Materials Data on PrLuO3 by Materials Project

Abstract

PrLuO3 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 38–41°. There are a spread of Lu–O bond distances ranging from 2.19–2.23 Å. Pr3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.36–3.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Lu3+ and three equivalent Pr3+ atoms. In the second O2- site, O2- is bonded to two equivalent Lu3+ and two equivalent Pr3+ atoms to form distorted corner-sharing OPr2Lu2 trigonal pyramids.