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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on KMnO2 by Materials Project

KMnO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.62–3.14 Å. Mn3+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing MnO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.91–1.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent K1+ and two equivalent Mn3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Mn3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KMnO2 by Materials Project

KMnO2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. K1+ is bonded to six equivalent O2- atoms to form a mixture of distorted corner and edge-sharing KO6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are four shorter (2.77 Å) and two longer (2.79 Å) K–O bond lengths. Mn3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 1.94 Å. O2- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Mn3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KMnO2 by Materials Project

KMnO2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. K1+ is bonded to six O2- atoms to form edge-sharing KO6 octahedra. There are a spread of K–O bond distances ranging from 2.54–2.78 Å. Mn3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are four shorter (2.02 Å) and one longer (2.57 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent K1+ and three equivalent Mn3+ atoms to form distorted edge-sharing OK3Mn3 octahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Mn3+ atoms.

36 MATERIALS SCIENCE↗