Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Cu4W(SCl)4”

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 Cu4W(SCl)4 by Materials Project

Cu2WS4(CuCl2)2 crystallizes in the tetragonal I4/mmm space group. The structure is one-dimensional and consists of two Cu2WS4 ribbons oriented in the (0, 0, 1) direction and two CuCl2 ribbons oriented in the (0, 0, 1) direction. In each Cu2WS4 ribbon, there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All W–S bond lengths are 2.56 Å. In the second W6+ site, W6+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All W–S bond lengths are 2.56 Å. Cu+1.50+ is bonded in a 4-coordinate geometry to four equivalent S2- atoms. All Cu–S bond lengths are 2.40 Å. S2- is bonded in a 2-coordinate geometry to two W6+ and two equivalent Cu+1.50+ atoms. In each CuCl2 ribbon, Cu+1.50+ is bonded in a square co-planar geometry to four equivalent Cl1- atoms. All Cu–Cl bond lengths are 2.31 Å. Cl1- is bonded in a bent 120 degrees geometry to two equivalent Cu+1.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu4W(SCl)4 by Materials Project

Cu2WS4(CuCl2)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Cu2WS4 ribbons oriented in the (0, 0, 1) direction and two CuCl2 ribbons oriented in the (0, 0, 1) direction. In each Cu2WS4 ribbon, there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are two shorter (2.55 Å) and six longer (2.56 Å) W–S bond lengths. In the second W6+ site, W6+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are four shorter (2.55 Å) and four longer (2.56 Å) W–S bond lengths. Cu+1.50+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Cu–S bond distances ranging from 2.38–2.40 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two W6+ and two equivalent Cu+1.50+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to two W6+ and two equivalent Cu+1.50+ atoms. In the third S2- site, S2- is bonded in a 2-coordinate geometry to two W6+ and two equivalent Cu+1.50+ atoms. In each CuCl2 ribbon, there are two inequivalent Cu+1.50+ sites. In the first Cu+1.50+ site, Cu+1.50+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.27 Å) and two longer (2.31 Å) Cu–Cl bond lengths. In the second Cu+1.50+ site, Cu+1.50+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.30 Å) and two longer (2.31 Å) Cu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two Cu+1.50+ atoms. In the second Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two Cu+1.50+ atoms.

36 MATERIALS SCIENCE↗