Materials Data on LaYO3 by Materials Project
LaYO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.81 Å. Y3+ is bonded to six O2- atoms to form corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 40–44°. There are a spread of Y–O bond distances ranging from 2.26–2.32 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Y3+ atoms. In the second O2- site, O2- is bonded to two equivalent La3+ and two equivalent Y3+ atoms to form distorted corner-sharing OLa2Y2 trigonal pyramids.