Materials Data on AlHO2 by Materials Project

Abstract

AlOOH crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Al3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Al–O bond distances ranging from 1.87–1.99 Å. H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.61 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Al3+ and one H1+ atom to form corner-sharing OAl3H tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Al3+ and one H1+ atom.