Materials Data on LaYbO3 by Materials Project

Abstract

LaYbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Yb3+ is bonded to six O2- atoms to form corner-sharing YbO6 octahedra. The corner-sharing octahedra tilt angles range from 43–48°. There are a spread of Yb–O bond distances ranging from 2.28–2.33 Å. La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.80 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Yb2 trigonal pyramids. In the second O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Yb2 trigonal pyramids. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Yb3+ and two equivalent La3+ atoms.