Search NASA⌕ Search

SEARCH · Search NASA

Results for “S-Ti-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.

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

4 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ti2VS4 by Materials Project

Ti2VS4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ti3+ is bonded to six S2- atoms to form TiS6 octahedra that share corners with six equivalent VS6 octahedra, edges with six equivalent TiS6 octahedra, and a faceface with one VS6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. There are a spread of Ti–S bond distances ranging from 2.42–2.55 Å. V2+ is bonded to six S2- atoms to form VS6 octahedra that share corners with twelve equivalent TiS6 octahedra, edges with two equivalent VS6 octahedra, and faces with two equivalent TiS6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. There are two shorter (2.40 Å) and four longer (2.44 Å) V–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Ti3+ and two equivalent V2+ atoms to form a mixture of distorted edge and corner-sharing STi3V2 trigonal bipyramids. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ti3+ and one V2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti3VS4 by Materials Project

Ti3VS4 is Caswellsilverite-like structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are three inequivalent Ti2+ sites. In the first Ti2+ site, Ti2+ is bonded to six S2- atoms to form TiS6 octahedra that share corners with twelve TiS6 octahedra, edges with two equivalent TiS6 octahedra, edges with four equivalent VS6 octahedra, and faces with two equivalent TiS6 octahedra. The corner-sharing octahedra tilt angles range from 44–45°. All Ti–S bond lengths are 2.46 Å. In the second Ti2+ site, Ti2+ is bonded to six S2- atoms to form TiS6 octahedra that share corners with four equivalent VS6 octahedra, corners with eight equivalent TiS6 octahedra, edges with six TiS6 octahedra, and faces with two equivalent VS6 octahedra. The corner-sharing octahedra tilt angles range from 44–45°. There are two shorter (2.45 Å) and four longer (2.47 Å) Ti–S bond lengths. In the third Ti2+ site, Ti2+ is bonded to six S2- atoms to form TiS6 octahedra that share corners with four equivalent TiS6 octahedra, corners with eight equivalent VS6 octahedra, edges with six TiS6 octahedra, and faces with two equivalent TiS6 octahedra. The corner-sharing octahedra tilt angles range from 44–45°. There are four shorter (2.48 Å) and two longer (2.49 Å) Ti–S bond lengths. V2+ is bonded to six S2- atoms to form VS6 octahedra that share corners with twelve TiS6 octahedra, edges with two equivalent VS6 octahedra, edges with four equivalent TiS6 octahedra, and faces with two equivalent TiS6 octahedra. The corner-sharing octahedra tilt angles range from 44–45°. There are two shorter (2.43 Å) and four longer (2.44 Å) V–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four Ti2+ and two equivalent V2+ atoms to form a mixture of distorted edge and corner-sharing STi4V2 pentagonal pyramids. In the second S2- site, S2- is bonded to five Ti2+ and one V2+ atom to form distorted STi5V pentagonal pyramids that share corners with six equivalent STi5V pentagonal pyramids and edges with twelve STi4V2 pentagonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti3VS6 by Materials Project

Ti3VS6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ti+3.33+ sites. In the first Ti+3.33+ site, Ti+3.33+ is bonded to six equivalent S2- atoms to form TiS6 octahedra that share corners with six equivalent VS6 octahedra and edges with six equivalent TiS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Ti–S bond lengths are 2.45 Å. In the second Ti+3.33+ site, Ti+3.33+ is bonded to six equivalent S2- atoms to form TiS6 octahedra that share corners with three equivalent VS6 octahedra, edges with six TiS6 octahedra, and a faceface with one VS6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are three shorter (2.45 Å) and three longer (2.47 Å) Ti–S bond lengths. V2+ is bonded to six equivalent S2- atoms to form VS6 octahedra that share corners with twelve TiS6 octahedra and faces with two equivalent TiS6 octahedra. The corner-sharing octahedra tilt angles range from 47–48°. All V–S bond lengths are 2.42 Å. S2- is bonded in a rectangular see-saw-like geometry to three Ti+3.33+ and one V2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiVS2 by Materials Project

TiVS2 is beta Sn-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Ti2+ is bonded to six S2- atoms to form distorted TiS6 octahedra that share corners with four equivalent TiS6 octahedra, corners with eight equivalent VS6 octahedra, edges with two equivalent TiS6 octahedra, edges with four equivalent VS6 octahedra, and faces with two equivalent TiS6 octahedra. The corner-sharing octahedra tilt angles range from 41–57°. There are a spread of Ti–S bond distances ranging from 2.37–2.63 Å. V2+ is bonded to six S2- atoms to form distorted VS6 octahedra that share corners with four equivalent VS6 octahedra, corners with eight equivalent TiS6 octahedra, edges with two equivalent VS6 octahedra, edges with four equivalent TiS6 octahedra, and faces with two equivalent VS6 octahedra. The corner-sharing octahedra tilt angles range from 41–57°. There are a spread of V–S bond distances ranging from 2.36–2.53 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Ti2+ and four equivalent V2+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to four equivalent Ti2+ and two equivalent V2+ atoms.

36 MATERIALS SCIENCE↗