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DOE OSTI · 1713664

Materials Data on K3NaMnCl6 by Materials Project

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Abstract

K3NaMnCl6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.23–3.37 Å. Na1+ is bonded to six equivalent Cl1- atoms to form distorted NaCl6 pentagonal pyramids that share faces with two equivalent MnCl6 octahedra. All Na–Cl bond lengths are 2.86 Å. Mn2+ is bonded to six equivalent Cl1- atoms to form MnCl6 octahedra that share faces with two equivalent NaCl6 pentagonal pyramids. All Mn–Cl bond lengths are 2.56 Å. Cl1- is bonded to four equivalent K1+, one Na1+, and one Mn2+ atom to form a mixture of distorted corner, edge, and face-sharing ClK4NaMn octahedra. The corner-sharing octahedra tilt angles range from 0–64°.

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36 MATERIALS SCIENCECl-K-Mn-Nacrystal structureK3NaMnCl6

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2020-05-02. Materials Data on K3NaMnCl6 by Materials Project. https://doi.org/10.17188/1713664

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