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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on VS2NO8 by Materials Project

VNS2O8 crystallizes in the trigonal P321 space group. The structure is three-dimensional. V5+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent SO4 tetrahedra. All V–O bond lengths are 1.95 Å. N1- is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All N–O bond lengths are 3.14 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 15°. There is one shorter (1.42 Å) and three longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one V5+ and one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent N1- and one S6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on V2S3(NO6)2 by Materials Project

V2(SO4)3N2 crystallizes in the cubic P2_13 space group. The structure is three-dimensional and consists of eight ammonia molecules and one V2(SO4)3 framework. In the V2(SO4)3 framework, there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent SO4 tetrahedra. All V–O bond lengths are 2.04 Å. In the second V5+ site, V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.03 Å) and three longer (2.04 Å) V–O bond lengths. S+3.33+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four VO6 octahedra. The corner-sharing octahedra tilt angles range from 11–48°. There are a spread of S–O bond distances ranging from 1.47–1.49 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one S+3.33+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one S+3.33+ atom. In the third O2- site, O2- is bonded in a linear geometry to one V5+ and one S+3.33+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one S+3.33+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VS2NO9 by Materials Project

(VS2O9)2N2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is two-dimensional and consists of four ammonia molecules and two VS2O9 sheets oriented in the (0, 0, 1) direction. In each VS2O9 sheet, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.59–2.46 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.52 Å. In the second S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.44–1.54 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one S6+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one S6+ atom.

36 MATERIALS SCIENCE↗