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DOE OSTI · 1201962

Materials Data on XeIF7 by Materials Project

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Abstract

XeF2IF5 is Heusler-derived structured and crystallizes in the tetragonal I4/m space group. The structure is zero-dimensional and consists of four IF5 clusters and four XeF2 clusters. In each IF5 cluster, I is bonded in a square pyramidal geometry to five F atoms. There is one shorter (1.87 Å) and four longer (1.93 Å) I–F bond length. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one I atom. In the second F site, F is bonded in a single-bond geometry to one I atom. In each XeF2 cluster, Xe is bonded in a linear geometry to two equivalent F atoms. Both Xe–F bond lengths are 2.09 Å. F is bonded in a single-bond geometry to one Xe atom.

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36 MATERIALS SCIENCEcrystal structureF-I-XeXeIF7

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2020-07-14. Materials Data on XeIF7 by Materials Project. https://doi.org/10.17188/1201962

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