SEARCH · Search NASA

Results for “As-O-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.

7 records

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Materials Data on VAsO5 by Materials Project

VOAsO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent AsO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.61–1.86 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with three equivalent VO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.64–1.78 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one As5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one As5+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on VAsO5 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 V4As2O13 by Materials Project

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on VAsO4 by Materials Project

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on V3As2O9 by Materials Project

V3As2O9 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 5–51°. There are a spread of V–O bond distances ranging from 1.98–2.06 Å. In the second V5+ site, V5+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 5–45°. There are a spread of V–O bond distances ranging from 1.69–2.19 Å. In the third V5+ site, V5+ is bonded to six O2- atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 35–51°. There are a spread of V–O bond distances ranging from 1.71–2.22 Å. There are two inequivalent As+1.50+ sites. In the first As+1.50+ site, As+1.50+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.79 Å) and two longer (1.84 Å) As–O bond length. In the second As+1.50+ site, As+1.50+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.78 Å) and two longer (1.86 Å) As–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V5+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to two V5+ and one As+1.50+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two V5+ and one As+1.50+ atom. In the fifth O2- site, O2- is bonded in a linear geometry to two V5+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two V5+ and one As+1.50+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two V5+ and one As+1.50+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on VAsO5 by Materials Project

VOAsO4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two VOAsO4 sheets oriented in the (0, 1, 0) direction. V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.60–1.99 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.72 Å) and one longer (1.74 Å) As–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one As5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one As5+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on V3As2O9 by Materials Project

V3As2O9 crystallizes in the tetragonal P4bm space group. The structure is two-dimensional and consists of one V3As2O9 sheet oriented in the (0, 0, 1) direction. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.01 Å. In the second V5+ site, V5+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There is one shorter (1.63 Å) and four longer (2.04 Å) V–O bond length. As+1.50+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.84 Å) and two longer (1.85 Å) As–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two V5+ and one As+1.50+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent V5+ and one As+1.50+ atom. 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 single-bond geometry to one V5+ atom.

36 MATERIALS SCIENCE↗