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DOE OSTI · 1311100

Materials Data on FeH4Br3N by Materials Project

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Abstract

FeBr3NH4 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two ammonium molecules and one FeBr3 ribbon oriented in the (0, 1, 0) direction. In the FeBr3 ribbon, Fe2+ is bonded to six Br1- atoms to form face-sharing FeBr6 octahedra. There are a spread of Fe–Br bond distances ranging from 2.61–2.65 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Fe2+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Fe2+ atoms. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Fe2+ atoms.

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36 MATERIALS SCIENCEBr-Fe-H-Ncrystal structureFeH4Br3N

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2020-07-14. Materials Data on FeH4Br3N by Materials Project. https://doi.org/10.17188/1311100

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