Materials Data on CrHO2 by Materials Project
CrOOH crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cr3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are a spread of Cr–O bond distances ranging from 1.99–2.09 Å. H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.56 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Cr3+ and one H1+ atom to form distorted corner-sharing OCr3H tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cr3+ and one H1+ atom.
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