Materials Data on CeAlO2 by Materials Project

Abstract

CeAlO2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Ce is bonded in a body-centered cubic geometry to eight O atoms. There are four shorter (2.61 Å) and four longer (2.62 Å) Ce–O bond lengths. Al is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.90 Å) and two longer (1.91 Å) Al–O bond length. There are two inequivalent O sites. In the first O site, O is bonded to four equivalent Ce and two equivalent Al atoms to form a mixture of corner, edge, and face-sharing OCe4Al2 octahedra. The corner-sharing octahedra tilt angles range from 0–62°. In the second O site, O is bonded to four equivalent Ce and two equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing OCe4Al2 octahedra. The corner-sharing octahedra tilt angles range from 0–62°.