Materials Data on NiHO2 by Materials Project
NiOOH crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ni3+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 1.91–2.13 Å. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.09 Å) and one longer (1.38 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ni3+ and one H1+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Ni3+ and one H1+ atom.
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