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DOE OSTI · 1201495

Materials Data on ReCl4O by Materials Project

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Abstract

ReOCl4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight ReOCl4 clusters. Re6+ is bonded in a 5-coordinate geometry to one O2- and four Cl1- atoms. The Re–O bond length is 1.69 Å. There are two shorter (2.28 Å) and two longer (2.29 Å) Re–Cl bond lengths. O2- is bonded in a single-bond geometry to one Re6+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re6+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re6+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Re6+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re6+ atom.

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36 MATERIALS SCIENCECl-O-Recrystal structureReCl4O

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2020-04-29. Materials Data on ReCl4O by Materials Project. https://doi.org/10.17188/1201495

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