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DOE OSTI · 1699143

Materials Data on Na2FeCl4 by Materials Project

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Abstract

Na2FeCl4 crystallizes in the orthorhombic Pbam 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 2.81–3.37 Å. Fe2+ is bonded to six Cl1- atoms to form edge-sharing FeCl6 octahedra. There are two shorter (2.44 Å) and four longer (2.56 Å) Fe–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to three equivalent Na1+ and two equivalent Fe2+ atoms to form a mixture of distorted edge and corner-sharing ClNa3Fe2 trigonal bipyramids. In the second Cl1- site, Cl1- is bonded to four equivalent Na1+ and one Fe2+ atom to form a mixture of distorted edge and corner-sharing ClNa4Fe trigonal bipyramids.

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36 MATERIALS SCIENCECl-Fe-Nacrystal structureNa2FeCl4

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2020-05-02. Materials Data on Na2FeCl4 by Materials Project. https://doi.org/10.17188/1699143

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