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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 NbF4 by Materials Project

NbF4 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two NbF4 sheets oriented in the (0, 0, 1) direction. Nb4+ is bonded to six F1- atoms to form corner-sharing NbF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.91 Å) and four longer (2.09 Å) Nb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Nb4+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Nb4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbF3 by Materials Project

NbF3 is alpha Rhenium trioxide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb3+ is bonded to six equivalent F1- atoms to form corner-sharing NbF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–F bond lengths are 2.10 Å. F1- is bonded in a linear geometry to two equivalent Nb3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbF5 by Materials Project

NbF5 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two NbF5 clusters. there are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six F1- atoms to form corner-sharing NbF6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are a spread of Nb–F bond distances ranging from 1.87–2.12 Å. In the second Nb5+ site, Nb5+ is bonded to six F1- atoms to form corner-sharing NbF6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are a spread of Nb–F bond distances ranging from 1.87–2.11 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the fifth F1- site, F1- is bonded in a linear geometry to two Nb5+ atoms. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nb2F5 by Materials Project

Nb2F5 crystallizes in the cubic Im-3m space group. The structure is three-dimensional and consists of two Nb2F5 frameworks. Nb+2.50+ is bonded to five F1- atoms to form corner-sharing NbF5 square pyramids. There are four shorter (2.09 Å) and one longer (2.18 Å) Nb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Nb+2.50+ atoms. In the second F1- site, F1- is bonded in an L-shaped geometry to two equivalent Nb+2.50+ atoms.

36 MATERIALS SCIENCE↗