Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “LiV3O6”

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.

2 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LiV3O6 by Materials Project

LiV3O6 is Corundum-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six VO6 octahedra and edges with six VO6 octahedra. The corner-sharing octahedra tilt angles range from 7–13°. There are four shorter (2.20 Å) and two longer (2.24 Å) Li–O bond lengths. There are two inequivalent V+3.67+ sites. In the first V+3.67+ site, V+3.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with two equivalent LiO6 octahedra, edges with two equivalent LiO6 octahedra, and edges with six VO6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are a spread of V–O bond distances ranging from 1.97–2.06 Å. In the second V+3.67+ site, V+3.67+ is bonded to six O2- atoms to form VO6 octahedra that share corners with two equivalent LiO6 octahedra, edges with two equivalent LiO6 octahedra, and edges with six equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There is four shorter (1.93 Å) and two longer (2.06 Å) V–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three V+3.67+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three V+3.67+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiV3O6 by Materials Project

LiV3O6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Li1+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.36–2.46 Å. There are three inequivalent V+3.67+ sites. In the first V+3.67+ site, V+3.67+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.68–2.54 Å. In the second V+3.67+ site, V+3.67+ is bonded in a bent 150 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.44 Å) V–O bond length. In the third V+3.67+ site, V+3.67+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.63–2.00 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+3.67+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one V+3.67+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two V+3.67+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+ and two V+3.67+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+ and one V+3.67+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to three V+3.67+ atoms.

36 MATERIALS SCIENCE↗