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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 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↗