Materials Data on LaDyO3 by Materials Project

Abstract

LaDyO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Dy3+ is bonded to six O2- atoms to form corner-sharing DyO6 octahedra. The corner-sharing octahedra tilt angles range from 41–43°. There are a spread of Dy–O bond distances ranging from 2.26–2.32 Å. La3+ is bonded in a 4-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.36–3.06 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent La3+ atoms to form distorted corner-sharing OLa2Dy2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and three equivalent La3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+ and two equivalent La3+ atoms.