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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 W2NCl8 by Materials Project

W2NCl8 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one W2NCl8 ribbon oriented in the (0, 0, 1) direction. W+5.50+ is bonded to one N3- and five Cl1- atoms to form a mixture of distorted edge and corner-sharing WNCl5 octahedra. The corner-sharing octahedral tilt angles are 0°. The W–N bond length is 1.83 Å. There are a spread of W–Cl bond distances ranging from 2.29–2.68 Å. N3- is bonded in a linear geometry to two equivalent W+5.50+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one W+5.50+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent W+5.50+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one W+5.50+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one W+5.50+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on W2NCl9 by Materials Project

W2NCl9 is alpha U-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two W2NCl9 clusters. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in an octahedral geometry to one N3- and five Cl1- atoms. The W–N bond length is 1.98 Å. All W–Cl bond lengths are 2.31 Å. In the second W6+ site, W6+ is bonded in a 6-coordinate geometry to one N3- and five Cl1- atoms. The W–N bond length is 1.76 Å. There are a spread of W–Cl bond distances ranging from 2.29–2.93 Å. N3- is bonded in a linear geometry to two W6+ atoms. There are nine 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. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the seventh Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent W6+ atoms. In the eighth Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the ninth Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WNCl6 by Materials Project

(WCl6)2N2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four ammonia molecules and four tungsten(vi) chloride molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on W(NCl3)2 by Materials Project

WCl6N2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight ammonia molecules and four tungsten(vi) chloride molecules.

36 MATERIALS SCIENCE↗