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DOE OSTI · 1202386

Materials Data on V2Se9 by Materials Project

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Abstract

V2Se9 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two V2Se9 ribbons oriented in the (1, 0, 1) direction. V5+ is bonded in a 8-coordinate geometry to eight Se+1.11- atoms. There are a spread of V–Se bond distances ranging from 2.53–2.64 Å. There are five inequivalent Se+1.11- sites. In the first Se+1.11- site, Se+1.11- is bonded in a distorted single-bond geometry to one V5+ atom. In the second Se+1.11- site, Se+1.11- is bonded in a 2-coordinate geometry to two equivalent V5+ atoms. In the third Se+1.11- site, Se+1.11- is bonded in a 2-coordinate geometry to two equivalent V5+ atoms. In the fourth Se+1.11- site, Se+1.11- is bonded in a 2-coordinate geometry to two equivalent V5+ atoms. In the fifth Se+1.11- site, Se+1.11- is bonded in a distorted L-shaped geometry to two equivalent V5+ atoms.

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36 MATERIALS SCIENCEcrystal structureSe-VV2Se9

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2020-07-23. Materials Data on V2Se9 by Materials Project. https://doi.org/10.17188/1202386

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