Search NASA⌕ Search

SEARCH · Search NASA

Results for “Cu-S-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.

5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on V4Cu3S8 by Materials Project

V4Cu3S8 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent V+3.25+ sites. In the first V+3.25+ site, V+3.25+ is bonded to six S2- atoms to form edge-sharing VS6 octahedra. There are a spread of V–S bond distances ranging from 2.34–2.44 Å. In the second V+3.25+ site, V+3.25+ is bonded to six S2- atoms to form distorted edge-sharing VS6 octahedra. There are a spread of V–S bond distances ranging from 2.28–2.53 Å. In the third V+3.25+ site, V+3.25+ is bonded to six S2- atoms to form distorted edge-sharing VS6 octahedra. There are a spread of V–S bond distances ranging from 2.28–2.52 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Cu–S bond distances ranging from 2.21–2.36 Å. In the second Cu1+ site, Cu1+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Cu–S bond distances ranging from 2.21–2.37 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded to three V+3.25+ and one Cu1+ atom to form distorted corner-sharing SV3Cu trigonal pyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three V+3.25+ and two Cu1+ atoms. In the third S2- site, S2- is bonded to three V+3.25+ and one Cu1+ atom to form distorted corner-sharing SV3Cu trigonal pyramids. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to three V+3.25+ and three Cu1+ atoms. In the fifth S2- site, S2- is bonded in a 3-coordinate geometry to three V+3.25+ atoms. In the sixth S2- site, S2- is bonded in a 5-coordinate geometry to three V+3.25+ and two equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VCu3S4 by Materials Project

Cu3VS4 is Sulvanite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. V5+ is bonded to four equivalent S2- atoms to form VS4 tetrahedra that share edges with six equivalent CuS4 tetrahedra. All V–S bond lengths are 2.21 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with eight equivalent CuS4 tetrahedra and edges with two equivalent VS4 tetrahedra. All Cu–S bond lengths are 2.30 Å. S2- is bonded to one V5+ and three equivalent Cu1+ atoms to form a mixture of distorted corner and edge-sharing SVCu3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on V2CuS4 by Materials Project

CuV2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. V+3.50+ is bonded to six equivalent S2- atoms to form VS6 octahedra that share corners with six equivalent CuS4 tetrahedra and edges with six equivalent VS6 octahedra. All V–S bond lengths are 2.41 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with twelve equivalent VS6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Cu–S bond lengths are 2.24 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent V+3.50+ and one Cu1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on V7(CuS6)2 by Materials Project

V7(CuS6)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent V+3.14+ sites. In the first V+3.14+ site, V+3.14+ is bonded to six S2- atoms to form VS6 octahedra that share a cornercorner with one VS6 octahedra, corners with five equivalent CuS6 octahedra, edges with six VS6 octahedra, and a faceface with one VS6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are a spread of V–S bond distances ranging from 2.32–2.49 Å. In the second V+3.14+ site, V+3.14+ is bonded to six S2- atoms to form VS6 octahedra that share corners with two equivalent VS6 octahedra, corners with four equivalent CuS6 octahedra, edges with six VS6 octahedra, and a faceface with one CuS6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of V–S bond distances ranging from 2.30–2.53 Å. In the third V+3.14+ site, V+3.14+ is bonded to six S2- atoms to form VS6 octahedra that share corners with three equivalent VS6 octahedra, corners with three equivalent CuS6 octahedra, edges with six VS6 octahedra, and a faceface with one CuS6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of V–S bond distances ranging from 2.31–2.52 Å. In the fourth V+3.14+ site, V+3.14+ is bonded to six S2- atoms to form VS6 octahedra that share corners with twelve VS6 octahedra, edges with two equivalent CuS6 octahedra, and faces with two equivalent VS6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of V–S bond distances ranging from 2.38–2.45 Å. Cu1+ is bonded to six S2- atoms to form CuS6 octahedra that share corners with twelve VS6 octahedra, an edgeedge with one VS6 octahedra, an edgeedge with one CuS6 octahedra, and faces with two VS6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of Cu–S bond distances ranging from 2.40–2.50 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three V+3.14+ and one Cu1+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three V+3.14+ and one Cu1+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to four V+3.14+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to four V+3.14+ and one Cu1+ atom. In the fifth S2- site, S2- is bonded in a 5-coordinate geometry to four V+3.14+ and one Cu1+ atom. In the sixth S2- site, S2- is bonded in a 5-coordinate geometry to three V+3.14+ and two equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VCuS4 by Materials Project

VCuS4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. V5+ is bonded to six S2- atoms to form VS6 octahedra that share corners with six equivalent CuS4 tetrahedra and edges with two equivalent VS6 octahedra. There are two shorter (2.29 Å) and four longer (2.34 Å) V–S bond lengths. Cu3+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with six equivalent VS6 octahedra. The corner-sharing octahedra tilt angles range from 55–56°. There are two shorter (2.20 Å) and two longer (2.25 Å) Cu–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to one V5+ and one Cu3+ atom. In the second S2- site, S2- is bonded in a distorted trigonal planar geometry to two equivalent V5+ and one Cu3+ atom.

36 MATERIALS SCIENCE↗