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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 CoF3 by Materials Project

CoF3 is alpha Rhenium trioxide structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to six F1- atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Co–F bond lengths are 1.93 Å. In the second Co3+ site, Co3+ is bonded to six equivalent F1- atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Co–F bond lengths are 1.93 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two Co3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Co3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoF4 by Materials Project

CoF4 is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two CoF4 clusters. Co4+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Co–F bond lengths are 1.72 Å. F1- is bonded in a single-bond geometry to one Co4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoF3 by Materials Project

CoF3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to six F1- atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedra tilt angles range from 35–36°. There are a spread of Co–F bond distances ranging from 1.88–1.99 Å. In the second Co3+ site, Co3+ is bonded to six F1- atoms to form distorted corner-sharing CoF6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 29–33°. There are a spread of Co–F bond distances ranging from 1.88–2.00 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two Co3+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Co3+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two Co3+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two Co3+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Co3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoF3 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoF2 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoF3 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗