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Results for “Au-F-O”

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 Au(OF3)2 by Materials Project

AuF6O2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one oxygen molecule and one AuF6 cluster. In the AuF6 cluster, Au is bonded in an octahedral geometry to six F atoms. All Au–F bond lengths are 1.94 Å. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Au atom. In the second F site, F is bonded in a single-bond geometry to one Au atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AuO2F by Materials Project

AuO2F crystallizes in the orthorhombic C222_1 space group. The structure is two-dimensional and consists of two AuO2F sheets oriented in the (0, 1, 0) direction. Au5+ is bonded in a square co-planar geometry to two equivalent O2- and two equivalent F1- atoms. Both Au–O bond lengths are 2.05 Å. Both Au–F bond lengths are 2.13 Å. O2- is bonded in a distorted bent 120 degrees geometry to one Au5+ and one O2- atom. The O–O bond length is 1.32 Å. F1- is bonded in a bent 120 degrees geometry to two equivalent Au5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Au(OF3)2 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↗