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DOE OSTI · 1202784

Materials Data on Na2CrCl4 by Materials Project

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Abstract

Na2CrCl4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Na–Cl bond distances ranging from 2.80–3.34 Å. Cr2+ is bonded to six Cl1- atoms to form edge-sharing CrCl6 octahedra. There are a spread of Cr–Cl bond distances ranging from 2.39–2.98 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent Na1+ and one Cr2+ atom to form a mixture of distorted edge and corner-sharing ClNa4Cr trigonal bipyramids. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two equivalent Cr2+ atoms.

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36 MATERIALS SCIENCECl-Cr-Nacrystal structureNa2CrCl4

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2020-07-14. Materials Data on Na2CrCl4 by Materials Project. https://doi.org/10.17188/1202784

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