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DOE OSTI · 1652000

Materials Data on Fe3CoN by Materials Project

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Abstract

CoFe3N is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a linear geometry to four equivalent Co and two equivalent N atoms. All Fe–Co bond lengths are 2.60 Å. Both Fe–N bond lengths are 1.84 Å. Co is bonded to twelve equivalent Fe atoms to form CoFe12 cuboctahedra that share corners with twelve equivalent CoFe12 cuboctahedra, faces with six equivalent CoFe12 cuboctahedra, and faces with eight equivalent NFe6 octahedra. N is bonded to six equivalent Fe atoms to form NFe6 octahedra that share corners with six equivalent NFe6 octahedra and faces with eight equivalent CoFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCECo-Fe-Ncrystal structureFe3CoN

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2020-07-24. Materials Data on Fe3CoN by Materials Project. https://doi.org/10.17188/1652000

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