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DOE OSTI · 1202959

Materials Data on W3Br7 by Materials Project

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Abstract

W3Br7 is Copper structured and crystallizes in the cubic Pn-3 space group. The structure is zero-dimensional and consists of four W3Br7 clusters. W+2.33+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.55–2.66 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 6-coordinate geometry to three equivalent W+2.33+ atoms. In the second Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent W+2.33+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one W+2.33+ atom.

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36 MATERIALS SCIENCEBr-Wcrystal structureW3Br7

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2020-04-29. Materials Data on W3Br7 by Materials Project. https://doi.org/10.17188/1202959

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