Materials Data on SmAlO3 by Materials Project

Abstract

SmAlO3 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sm–O bond distances ranging from 2.34–3.02 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedra tilt angles range from 17–23°. There is four shorter (1.91 Å) and two longer (1.92 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sm3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sm3+ and two equivalent Al3+ atoms.