Materials Data on AlO3 by Materials Project

Abstract

AlO3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one AlO3 sheet oriented in the (0, 1, 1) direction. there are two inequivalent Al sites. In the first Al site, Al is bonded to six O atoms to form distorted edge-sharing AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.87–1.90 Å. In the second Al site, Al is bonded to six O atoms to form distorted edge-sharing AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.87–1.90 Å. There are six inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two Al atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two Al atoms. In the third O site, O is bonded in a water-like geometry to two equivalent Al atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two equivalent Al atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to two Al atoms. In the sixth O site, O is bonded in a bent 120 degrees geometry to two Al atoms.