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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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6 records
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 WCl5 by Materials Project

WCl5 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of six WCl5 clusters. In two of the WCl5 clusters, W5+ is bonded to six Cl1- atoms to form edge-sharing WCl6 octahedra. There are four shorter (2.28 Å) and two longer (2.54 Å) W–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one W5+ atom. The Cl–W bond length is 2.28 Å. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent W5+ atoms. Both Cl–W bond lengths are 2.54 Å. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one W5+ atom. The Cl–W bond length is 2.28 Å. In four of the WCl5 clusters, W5+ is bonded to six Cl1- atoms to form edge-sharing WCl6 octahedra. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one W5+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent W5+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one W5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one W5+ atom. In the fifth Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent W5+ atoms. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one W5+ atom.

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↗
DOE OSTI2020

Materials Data on WCl2 by Materials Project

WCl2 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two WCl2 sheets oriented in the (0, 1, 0) direction. there are two inequivalent W2+ sites. In the first W2+ site, W2+ is bonded to five Cl1- atoms to form edge-sharing WCl5 square pyramids. There are one shorter (2.40 Å) and four longer (2.51 Å) W–Cl bond lengths. In the second W2+ site, W2+ is bonded to five Cl1- atoms to form a mixture of corner and edge-sharing WCl5 square pyramids. There are four shorter (2.51 Å) and one longer (2.54 Å) W–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to two equivalent W2+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three W2+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one W2+ atom. In the fourth Cl1- site, Cl1- is bonded in a 12-coordinate geometry to three W2+ atoms.

36 MATERIALS SCIENCE↗