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DOE OSTI · 1197201

Materials Data on VCu3Se4 by Materials Project

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Abstract

Cu3VSe4 is Sulvanite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. V5+ is bonded to four equivalent Se2- atoms to form VSe4 tetrahedra that share edges with six equivalent CuSe4 tetrahedra. All V–Se bond lengths are 2.37 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with eight equivalent CuSe4 tetrahedra and edges with two equivalent VSe4 tetrahedra. All Cu–Se bond lengths are 2.42 Å. Se2- is bonded to one V5+ and three equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing SeVCu3 tetrahedra.

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36 MATERIALS SCIENCEcrystal structureCu-Se-VVCu3Se4

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2020-07-14. Materials Data on VCu3Se4 by Materials Project. https://doi.org/10.17188/1197201

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