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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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Materials Data on V2Se2O11 by Materials Project

V2O3(SeO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.60–2.38 Å. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.64–1.70 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one Se6+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Se6+ atom.

36 MATERIALS SCIENCE↗

Materials Data on V2Se2O13 by Materials Project

(VSeO5)4(O2)3 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four trioxidane molecules and four VSeO5 ribbons oriented in the (0, 1, 0) direction. In each VSeO5 ribbon, V is bonded in a tetrahedral geometry to four O atoms. There are a spread of V–O bond distances ranging from 1.63–1.84 Å. Se is bonded in a distorted see-saw-like geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.70–2.24 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one V and one Se atom. In the second O site, O is bonded in a single-bond geometry to one V atom. In the third O site, O is bonded in a single-bond geometry to one Se atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one V and one Se atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one V and one Se atom.

36 MATERIALS SCIENCE↗

Materials Data on VSeO4 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗