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DOE OSTI2020

Materials Data on KMnO4 by Materials Project

KMnO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.82–3.35 Å. Mn7+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.61 Å) and three longer (1.62 Å) Mn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Mn7+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Mn7+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one Mn7+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on KMnO4 by Materials Project

KMnO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of K–O bond distances ranging from 2.86–3.30 Å. Mn7+ is bonded in a tetrahedral geometry to four O2- atoms. All Mn–O bond lengths are 1.62 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one Mn7+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Mn7+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent K1+ and one Mn7+ atom.

36 MATERIALS SCIENCE↗