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DOE OSTI · 1277058

Materials Data on FeCl3 by Materials Project

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Abstract

FeCl3 is Aluminum trichloride-like structured and crystallizes in the trigonal P312 space group. The structure is two-dimensional and consists of three FeCl3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six Cl1- atoms to form edge-sharing FeCl6 octahedra. There are three shorter (2.39 Å) and three longer (2.42 Å) Fe–Cl bond lengths. In the second Fe3+ site, Fe3+ is bonded to six Cl1- atoms to form edge-sharing FeCl6 octahedra. There are three shorter (2.39 Å) and three longer (2.41 Å) Fe–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two Fe3+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two Fe3+ atoms.

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36 MATERIALS SCIENCECl-Fecrystal structureFeCl3

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2020-04-29. Materials Data on FeCl3 by Materials Project. https://doi.org/10.17188/1277058

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