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DOE OSTI · 1269742

Materials Data on Te2Xe(OF5)2 by Materials Project

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Abstract

Xe(OTeF5)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Xe(OTeF5)2 clusters. Xe is bonded in a linear geometry to two equivalent O atoms. Both Xe–O bond lengths are 2.19 Å. Te is bonded in an octahedral geometry to one O and five F atoms. The Te–O bond length is 1.91 Å. There are a spread of Te–F bond distances ranging from 1.87–1.89 Å. O is bonded in a bent 120 degrees geometry to one Xe and one Te atom. There are five inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Te atom. In the second F site, F is bonded in a single-bond geometry to one Te atom. In the third F site, F is bonded in a single-bond geometry to one Te atom. In the fourth F site, F is bonded in a single-bond geometry to one Te atom. In the fifth F site, F is bonded in a single-bond geometry to one Te atom.

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36 MATERIALS SCIENCEcrystal structureF-O-Te-XeTe2Xe(OF5)2

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2020-04-29. Materials Data on Te2Xe(OF5)2 by Materials Project. https://doi.org/10.17188/1269742

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