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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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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on V2NO by Materials Project

V2ON is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent V+2.50+ sites. In the first V+2.50+ site, V+2.50+ is bonded to three equivalent N3- and three equivalent O2- atoms to form a mixture of edge and corner-sharing VN3O3 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. There are one shorter (2.09 Å) and two longer (2.19 Å) V–N bond lengths. There are two shorter (2.19 Å) and one longer (2.28 Å) V–O bond lengths. In the second V+2.50+ site, V+2.50+ is bonded to three equivalent N3- and three equivalent O2- atoms to form a mixture of edge and corner-sharing VN3O3 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. There are a spread of V–N bond distances ranging from 2.11–2.20 Å. There are two shorter (2.19 Å) and one longer (2.31 Å) V–O bond lengths. N3- is bonded to six V+2.50+ atoms to form NV6 octahedra that share corners with two equivalent OV6 octahedra, corners with four equivalent NV6 octahedra, edges with four equivalent NV6 octahedra, and edges with eight equivalent OV6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. O2- is bonded to six V+2.50+ atoms to form OV6 octahedra that share corners with two equivalent NV6 octahedra, corners with four equivalent OV6 octahedra, edges with four equivalent OV6 octahedra, and edges with eight equivalent NV6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on V5N4O by Materials Project

V5N4O is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent V+2.80+ sites. In the first V+2.80+ site, V+2.80+ is bonded to five N3- and one O2- atom to form a mixture of edge and corner-sharing VN5O octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of V–N bond distances ranging from 2.11–2.24 Å. The V–O bond length is 2.22 Å. In the second V+2.80+ site, V+2.80+ is bonded to five N3- and one O2- atom to form a mixture of edge and corner-sharing VN5O octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of V–N bond distances ranging from 2.10–2.20 Å. The V–O bond length is 2.22 Å. In the third V+2.80+ site, V+2.80+ is bonded to five N3- and one O2- atom to form a mixture of edge and corner-sharing VN5O octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of V–N bond distances ranging from 2.11–2.20 Å. The V–O bond length is 2.23 Å. In the fourth V+2.80+ site, V+2.80+ is bonded to five N3- and one O2- atom to form a mixture of edge and corner-sharing VN5O octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are a spread of V–N bond distances ranging from 2.10–2.24 Å. The V–O bond length is 2.24 Å. In the fifth V+2.80+ site, V+2.80+ is bonded to four N3- and two equivalent O2- atoms to form a mixture of edge and corner-sharing VN4O2 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of V–N bond distances ranging from 2.14–2.17 Å. Both V–O bond lengths are 2.14 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded to six V+2.80+ atoms to form NV6 octahedra that share a cornercorner with one OV6 octahedra, corners with five NV6 octahedra, edges with three equivalent OV6 octahedra, and edges with nine NV6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the second N3- site, N3- is bonded to six V+2.80+ atoms to form NV6 octahedra that share a cornercorner with one OV6 octahedra, corners with five NV6 octahedra, edges with three equivalent OV6 octahedra, and edges with nine NV6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the third N3- site, N3- is bonded to six V+2.80+ atoms to form NV6 octahedra that share a cornercorner with one OV6 octahedra, corners with five NV6 octahedra, edges with three equivalent OV6 octahedra, and edges with nine NV6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the fourth N3- site, N3- is bonded to six V+2.80+ atoms to form NV6 octahedra that share a cornercorner with one OV6 octahedra, corners with five NV6 octahedra, edges with three equivalent OV6 octahedra, and edges with nine NV6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. O2- is bonded to six V+2.80+ atoms to form OV6 octahedra that share corners with two equivalent OV6 octahedra, corners with four NV6 octahedra, and edges with twelve NV6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VN3O8 by Materials Project

(VO8)2(N2)3 crystallizes in the tetragonal I-42m space group. The structure is zero-dimensional and consists of six ammonia molecules and two VO8 clusters. In each VO8 cluster, V5+ is bonded in a hexagonal bipyramidal geometry to eight O2- atoms. There is four shorter (1.94 Å) and four longer (1.97 Å) V–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one O2- atom. The O–O bond length is 1.36 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one O2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on V4NO11 by Materials Project

(V2O5)2NO crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of two nitroxyl molecules and two V2O5 sheets oriented in the (0, 0, 1) direction. In each V2O5 sheet, there are two inequivalent V+4.75+ sites. In the first V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.61–2.05 Å. In the second V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.61–2.02 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one V+4.75+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.75+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.75+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one V+4.75+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+4.75+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on V3(NO4)2 by Materials Project

V3O8N2 crystallizes in the tetragonal P4bm space group. The structure is two-dimensional and consists of four ammonia molecules and one V3O8 sheet oriented in the (0, 0, 1) direction. In the V3O8 sheet, there are two inequivalent V+4.67+ sites. In the first V+4.67+ site, V+4.67+ is bonded to five O2- atoms to form distorted corner-sharing VO5 trigonal bipyramids. There is one shorter (1.61 Å) and four longer (1.90 Å) V–O bond length. In the second V+4.67+ site, V+4.67+ is bonded to four O2- atoms to form VO4 tetrahedra that share a cornercorner with one VO4 tetrahedra and corners with two equivalent VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.65–1.81 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.67+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V+4.67+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VNO3 by Materials Project

VO2NO crystallizes in the orthorhombic Pbcm space group. The structure is two-dimensional and consists of four nitroxyl molecules and two VO2 sheets oriented in the (0, 0, 1) direction. In each VO2 sheet, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There is two shorter (1.81 Å) and two longer (1.83 Å) V–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent V5+ atoms.

36 MATERIALS SCIENCE↗