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DOE OSTI · 1190800

Materials Data on K2VAgSe4 by Materials Project

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Abstract

K2VAgSe4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are a spread of K–Se bond distances ranging from 3.42–3.85 Å. V5+ is bonded to four equivalent Se2- atoms to form VSe4 tetrahedra that share edges with two equivalent AgSe4 tetrahedra. All V–Se bond lengths are 2.32 Å. Ag1+ is bonded to four equivalent Se2- atoms to form AgSe4 tetrahedra that share edges with two equivalent VSe4 tetrahedra. All Ag–Se bond lengths are 2.64 Å. Se2- is bonded in a 1-coordinate geometry to four equivalent K1+, one V5+, and one Ag1+ atom.

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36 MATERIALS SCIENCEAg-K-Se-Vcrystal structureK2VAgSe4

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2020-07-18. Materials Data on K2VAgSe4 by Materials Project. https://doi.org/10.17188/1190800

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