Materials Data on CeScO3 by Materials Project
CeScO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.33–2.88 Å. Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedra tilt angles range from 36–38°. There are a spread of Sc–O bond distances ranging from 2.12–2.14 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ce3+ and two equivalent Sc3+ atoms to form distorted corner-sharing OCe2Sc2 tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ce3+ and two equivalent Sc3+ atoms.