Materials Data on AlHO2 by Materials Project

AlOOH crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Al3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing AlO6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are a spread of Al–O bond distances ranging from 1.88–2.07 Å. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.53 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 distorted corner-sharing OAl3H trigonal pyramids. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Al3+ and one H1+ atom.