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DOE OSTI · 1200233

Materials Data on Fe2N by Materials Project

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Abstract

Fe2N is beta Vanadium nitride structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Fe is bonded in a distorted T-shaped geometry to three N atoms. There is one shorter (1.91 Å) and two longer (1.92 Å) Fe–N bond length. There are two inequivalent N sites. In the first N site, N is bonded to six equivalent Fe atoms to form corner-sharing NFe6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second N site, N is bonded to six equivalent Fe atoms to form a mixture of edge and corner-sharing NFe6 octahedra. The corner-sharing octahedral tilt angles are 48°.

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36 MATERIALS SCIENCEcrystal structureFe-NFe2N

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2020-07-16. Materials Data on Fe2N by Materials Project. https://doi.org/10.17188/1200233

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