SEARCH · Engineering Papers

Results for “F-Na-V”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

6 records

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Materials Data on Na3VF6 by Materials Project

Na3VF6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.32–2.76 Å. In the second Na1+ site, Na1+ is bonded to six F1- atoms to form NaF6 octahedra that share corners with six equivalent VF6 octahedra. The corner-sharing octahedra tilt angles range from 34–41°. There are a spread of Na–F bond distances ranging from 2.25–2.35 Å. V3+ is bonded to six F1- atoms to form VF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedra tilt angles range from 34–41°. There is four shorter (1.98 Å) and two longer (1.99 Å) V–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three Na1+ and one V3+ atom. In the second F1- site, F1- is bonded in a 5-coordinate geometry to four Na1+ and one V3+ atom. In the third F1- site, F1- is bonded to three Na1+ and one V3+ atom to form distorted corner-sharing FNa3V tetrahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on NaV3F10 by Materials Project

NaV3F10 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Na1+ is bonded to eight F1- atoms to form distorted NaF8 hexagonal bipyramids that share corners with two equivalent VF6 octahedra and edges with six VF6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are a spread of Na–F bond distances ranging from 2.13–2.86 Å. There are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six F1- atoms to form VF6 octahedra that share corners with six equivalent VF6 octahedra and edges with two equivalent NaF8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 1–34°. There are a spread of V–F bond distances ranging from 1.97–1.99 Å. In the second V3+ site, V3+ is bonded to six F1- atoms to form VF6 octahedra that share a cornercorner with one NaF8 hexagonal bipyramid, corners with five VF6 octahedra, and edges with two equivalent NaF8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 1–36°. There are a spread of V–F bond distances ranging from 1.86–2.02 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to one Na1+ and one V3+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Na1+ and two equivalent V3+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to one Na1+ and two V3+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two V3+ atoms. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Na1+ and two V3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Na2VF5 by Materials Project

Na2VF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.27–2.70 Å. In the second Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.28–2.93 Å. There are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are a spread of V–F bond distances ranging from 1.94–2.07 Å. In the second V3+ site, V3+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are a spread of V–F bond distances ranging from 1.94–2.06 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three Na1+ and one V3+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to three Na1+ and one V3+ atom. In the third F1- site, F1- is bonded to two Na1+ and two V3+ atoms to form distorted corner-sharing FNa2V2 trigonal pyramids. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to three Na1+ and one V3+ atom. In the fifth F1- site, F1- is bonded in a 4-coordinate geometry to three Na1+ and one V3+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on NaVF3 by Materials Project

NaVF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.29–2.86 Å. V2+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 38–41°. There are four shorter (2.12 Å) and two longer (2.13 Å) V–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Na1+ and two equivalent V2+ atoms to form distorted corner-sharing FNa2V2 trigonal pyramids. In the second F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two equivalent V2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on NaVF3 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↗

DOE OSTI2020

Materials Data on NaVF4 by Materials Project

36 MATERIALS SCIENCE↗