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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.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on WCl6 by Materials Project

WCl6 crystallizes in the trigonal P-3m1 space group. The structure is zero-dimensional and consists of three tungsten(vi) chloride molecules. W6+ is bonded in an octahedral geometry to six Cl1- atoms. All W–Cl bond lengths are 2.31 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WCl3 by Materials Project

WCl3 is Tungsten structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three WCl3 clusters. W3+ is bonded to five Cl1- atoms to form corner-sharing WCl5 square pyramids. There are a spread of W–Cl bond distances ranging from 2.39–2.41 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W3+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one W3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent W3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WCl6 by Materials Project

WCl6 is Copper structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three tungsten(vi) chloride molecules. W6+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All W–Cl bond lengths are 2.31 Å. Cl1- is bonded in a single-bond geometry to one W6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WCl4 by Materials Project

WCl4 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two WCl4 ribbons oriented in the (0, 1, 0) direction. W4+ is bonded to six Cl1- atoms to form edge-sharing WCl6 octahedra. There are a spread of W–Cl bond distances ranging from 2.31–2.53 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent W4+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W4+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one W4+ atom.

36 MATERIALS SCIENCE↗