Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “K-O-W”

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.

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

5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K2WO4 by Materials Project

K2WO4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.32 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.69–3.33 Å. W6+ is bonded in a tetrahedral geometry to four O2- atoms. All W–O bond lengths are 1.82 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one W6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one W6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one W6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K(WO3)6 by Materials Project

K(WO3)6 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share edges with twelve equivalent WO6 octahedra. All K–O bond lengths are 3.36 Å. W+5.83+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent WO6 octahedra and edges with two equivalent KO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–30°. There are a spread of W–O bond distances ranging from 1.93–1.96 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W+5.83+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W+5.83+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one K1+ and two equivalent W+5.83+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KWO3 by Materials Project

KWO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent WO6 octahedra. All K–O bond lengths are 2.84 Å. W5+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent WO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All W–O bond lengths are 2.01 Å. O2- is bonded to four equivalent K1+ and two equivalent W5+ atoms to form a mixture of distorted corner, edge, and face-sharing OK4W2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2W2O5 by Materials Project

K2W2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.62–3.10 Å. There are two inequivalent W4+ sites. In the first W4+ site, W4+ is bonded to six O2- atoms to form WO6 octahedra that share corners with four equivalent WO6 octahedra and corners with two equivalent WO4 tetrahedra. The corner-sharing octahedral tilt angles are 8°. There are a spread of W–O bond distances ranging from 2.09–2.21 Å. In the second W4+ site, W4+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with two equivalent WO6 octahedra and corners with two equivalent WO4 tetrahedra. The corner-sharing octahedral tilt angles are 28°. There are a spread of W–O bond distances ranging from 1.92–2.04 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent K1+ and two equivalent W4+ atoms to form distorted OK4W2 octahedra that share corners with two equivalent OK4W2 octahedra, corners with four equivalent OK2W2 tetrahedra, edges with two equivalent OK4W2 octahedra, and faces with four equivalent OK4W2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent K1+ and two W4+ atoms. In the third O2- site, O2- is bonded to two equivalent K1+ and two equivalent W4+ atoms to form distorted OK2W2 tetrahedra that share corners with eight equivalent OK4W2 octahedra and corners with two equivalent OK2W2 tetrahedra. The corner-sharing octahedra tilt angles range from 19–83°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2WO8 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↗