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DOE OSTI · 1754571

Materials Data on Fe4AgXeF5 by Materials Project

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Abstract

XeFe4AgF5 crystallizes in the tetragonal I4/m space group. The structure is two-dimensional and consists of four xenon molecules and two Fe4AgF5 sheets oriented in the (0, 0, 1) direction. In each Fe4AgF5 sheet, Fe is bonded in a 3-coordinate geometry to three F atoms. There are a spread of Fe–F bond distances ranging from 2.00–2.35 Å. Ag is bonded in a square co-planar geometry to four equivalent F atoms. All Ag–F bond lengths are 2.49 Å. There are two inequivalent F sites. In the first F site, F is bonded in a distorted T-shaped geometry to two equivalent Fe and one Ag atom. In the second F site, F is bonded in a square co-planar geometry to four equivalent Fe atoms.

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36 MATERIALS SCIENCEAg-F-Fe-Xecrystal structureFe4AgXeF5

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2020-04-30. Materials Data on Fe4AgXeF5 by Materials Project. https://doi.org/10.17188/1754571

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