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DOE OSTI · 1677088

Materials Data on VFe3Si4 by Materials Project

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Abstract

VFe3Si4 crystallizes in the trigonal R3 space group. The structure is three-dimensional. V2+ is bonded in a 7-coordinate geometry to seven Si2- atoms. There are a spread of V–Si bond distances ranging from 2.39–2.55 Å. Fe2+ is bonded in a 7-coordinate geometry to seven Si2- atoms. There are a spread of Fe–Si bond distances ranging from 2.27–2.56 Å. There are two inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 7-coordinate geometry to one V2+ and six equivalent Fe2+ atoms. In the second Si2- site, Si2- is bonded in a 7-coordinate geometry to two equivalent V2+ and five equivalent Fe2+ atoms.

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36 MATERIALS SCIENCEcrystal structureFe-Si-VVFe3Si4

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2020-05-02. Materials Data on VFe3Si4 by Materials Project. https://doi.org/10.17188/1677088

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