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DOE OSTI · 1718880

Materials Data on Fe2Mo by Materials Project

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Abstract

Fe2Mo is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo is bonded in a 12-coordinate geometry to four equivalent Mo and twelve Fe atoms. There are one shorter (2.83 Å) and three longer (2.90 Å) Mo–Mo bond lengths. There are a spread of Mo–Fe bond distances ranging from 2.73–2.81 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent Mo and six Fe atoms to form a mixture of face, edge, and corner-sharing FeFe6Mo6 cuboctahedra. There are two shorter (2.28 Å) and four longer (2.39 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded to six equivalent Mo and six equivalent Fe atoms to form a mixture of face, edge, and corner-sharing FeFe6Mo6 cuboctahedra.

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36 MATERIALS SCIENCEcrystal structureFe-MoFe2Mo

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2020-06-04. Materials Data on Fe2Mo by Materials Project. https://doi.org/10.17188/1718880

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