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DOE OSTI · 1665525

Materials Data on Fe by Materials Project

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Abstract

Fe is beta Plutonium-like structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 3-coordinate geometry to nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.32–2.62 Å. In the second Fe site, Fe is bonded in a 11-coordinate geometry to eleven Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.25–2.66 Å. In the third Fe site, Fe is bonded in a 2-coordinate geometry to fourteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.32–2.81 Å. In the fourth Fe site, Fe is bonded in a 11-coordinate geometry to eleven Fe atoms. The Fe–Fe bond length is 2.41 Å.

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36 MATERIALS SCIENCEcrystal structureFe

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2020-08-03. Materials Data on Fe by Materials Project. https://doi.org/10.17188/1665525

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