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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on KMnCl3O2 by Materials Project

KMnO2Cl3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to one O and seven Cl atoms. The K–O bond length is 2.86 Å. There are a spread of K–Cl bond distances ranging from 3.28–3.59 Å. Mn is bonded in a distorted trigonal bipyramidal geometry to two O and three Cl atoms. There is one shorter (1.60 Å) and one longer (1.62 Å) Mn–O bond length. There are a spread of Mn–Cl bond distances ranging from 2.19–2.41 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Mn atom. In the second O site, O is bonded in a distorted single-bond geometry to one K and one Mn atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a 1-coordinate geometry to two equivalent K and one Mn atom. In the second Cl site, Cl is bonded in a distorted single-bond geometry to two equivalent K and one Mn atom. In the third Cl site, Cl is bonded in a 4-coordinate geometry to three equivalent K and one Mn atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KMnCl3O2 by Materials Project

KMnO2Cl3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to two O and seven Cl atoms. There are one shorter (3.03 Å) and one longer (3.07 Å) K–O bond lengths. There are a spread of K–Cl bond distances ranging from 3.22–3.43 Å. Mn is bonded in a 6-coordinate geometry to two O and four Cl atoms. Both Mn–O bond lengths are 1.72 Å. There are a spread of Mn–Cl bond distances ranging from 2.27–2.63 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one K and one Mn atom. In the second O site, O is bonded in a single-bond geometry to one K and one Mn atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a 4-coordinate geometry to two equivalent K and two equivalent Mn atoms. In the second Cl site, Cl is bonded in a distorted single-bond geometry to two equivalent K and one Mn atom. In the third Cl site, Cl is bonded in a distorted see-saw-like geometry to three equivalent K and one Mn atom.

36 MATERIALS SCIENCE↗