Materials Data on AlCoO3 by Materials Project

Abstract

CoAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Co3+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Co–O bond distances ranging from 1.87–2.01 Å. Al3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Al–O bond distances ranging from 1.88–2.25 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Co3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded to two equivalent Co3+ and two equivalent Al3+ atoms to form distorted corner-sharing OAl2Co2 trigonal pyramids.