Materials Data on AlHO2 by Materials Project

AlOOH crystallizes in the monoclinic P2_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 2–11°. There are a spread of Al–O bond distances ranging from 1.89–2.01 Å. H1+ is bonded in a distorted linear geometry to two equivalent O2- atoms. There is one shorter (1.02 Å) and one longer (1.57 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to four equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Al3+ and two equivalent H1+ atoms.