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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 W3Br8 by Materials Project

W3Br8 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent W+2.67+ sites. In the first W+2.67+ site, W+2.67+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.59–2.61 Å. In the second W+2.67+ site, W+2.67+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.54–2.68 Å. There are six inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one W+2.67+ atom. In the second Br1- site, Br1- is bonded in a 8-coordinate geometry to three W+2.67+ and one Br1- atom. The Br–Br bond length is 3.86 Å. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to three W+2.67+ and one Br1- atom. The Br–Br bond length is 3.82 Å. In the fourth Br1- site, Br1- is bonded in a 1-coordinate geometry to three W+2.67+ and one Br1- atom. The Br–Br bond length is 3.98 Å. In the fifth Br1- site, Br1- is bonded in a 2-coordinate geometry to six Br1- atoms. There are one shorter (2.42 Å) and one longer (3.10 Å) Br–Br bond lengths. In the sixth Br1- site, Br1- is bonded in a single-bond geometry to one W+2.67+ and one Br1- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WBr6 by Materials Project

WBr6 is Copper structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three hexabromotungsten molecules. W6+ is bonded in an octahedral geometry to six equivalent Br1- atoms. All W–Br bond lengths are 2.48 Å. Br1- is bonded in a single-bond geometry to one W6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WBr2 by Materials Project

WBr2 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two WBr2 sheets oriented in the (0, 1, 0) direction. there are two inequivalent W2+ sites. In the first W2+ site, W2+ is bonded to five Br1- atoms to form a mixture of edge and corner-sharing WBr5 square pyramids. There are four shorter (2.65 Å) and one longer (2.71 Å) W–Br bond lengths. In the second W2+ site, W2+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are one shorter (2.58 Å) and four longer (2.66 Å) W–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three W2+ atoms. In the second Br1- site, Br1- is bonded in a 12-coordinate geometry to three W2+ atoms. In the third Br1- site, Br1- is bonded in a distorted bent 150 degrees geometry to two equivalent W2+ atoms. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one W2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WBr5 by Materials Project

WBr5 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of six WBr5 clusters. W5+ is bonded to six Br1- atoms to form edge-sharing WBr6 octahedra. There are a spread of W–Br bond distances ranging from 2.43–2.68 Å. There are six inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one W5+ atom. In the second Br1- site, Br1- is bonded in a water-like geometry to two equivalent W5+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one W5+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one W5+ atom. In the fifth Br1- site, Br1- is bonded in a water-like geometry to two equivalent W5+ atoms. In the sixth Br1- site, Br1- is bonded in a single-bond geometry to one W5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on W2Br5 by Materials Project

W2Br5 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one W2Br5 sheet oriented in the (1, 0, 0) direction. there are four inequivalent W+2.50+ sites. In the first W+2.50+ site, W+2.50+ is bonded to five Br1- atoms to form a mixture of corner and edge-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.52–2.74 Å. In the second W+2.50+ site, W+2.50+ is bonded to five Br1- atoms to form a mixture of corner and edge-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.60–2.72 Å. In the third W+2.50+ site, W+2.50+ is bonded to five Br1- atoms to form a mixture of corner and edge-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.60–2.72 Å. In the fourth W+2.50+ site, W+2.50+ is bonded to five Br1- atoms to form a mixture of corner and edge-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.58–2.85 Å. There are ten inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two W+2.50+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two W+2.50+ atoms. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to two W+2.50+ atoms. In the fourth Br1- site, Br1- is bonded in a bent 120 degrees geometry to two W+2.50+ atoms. In the fifth Br1- site, Br1- is bonded in a 12-coordinate geometry to three W+2.50+ atoms. In the sixth Br1- site, Br1- is bonded in a single-bond geometry to one W+2.50+ atom. In the seventh Br1- site, Br1- is bonded in a 7-coordinate geometry to two W+2.50+ atoms. In the eighth Br1- site, Br1- is bonded in a water-like geometry to two equivalent W+2.50+ atoms. In the ninth Br1- site, Br1- is bonded in a 2-coordinate geometry to two W+2.50+ atoms. In the tenth Br1- site, Br1- is bonded in a 4-coordinate geometry to two W+2.50+ atoms.

36 MATERIALS SCIENCE↗