AuF5

gold pentafluoride · gold(V) fluoride

Gold pentafluoride is a stable semiconducting inorganic compound consisting of gold and fluorine atoms in a high oxidation state.

AuF
Crystal structure of AuF5
Ground-state structure · Materials Project
Overview

About gold pentafluoride

Gold pentafluoride is a rare example of gold in a high oxidation state, existing as a thermodynamically stable fluoride. Its electronic character is defined as semiconducting, making it a subject of significant interest for researchers studying the behavior of heavy transition metals in highly electronegative environments.

Due to its complex structural landscape, this compound has been extensively characterized across multiple databases. It serves as a critical reference point for understanding the bonding and stability of gold-fluorine systems, which are essential for advanced chemical synthesis and materials research.

At a glance

Key Properties

Cross-validated computational properties for gold pentafluoride, aggregated across 3 databases.

Band Gap

0.70 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

14
3 databases, 4 space groups
Uses

Applications

Where gold pentafluoride is used.

Fluorinating agentChemical synthesis catalystFundamental materials research
Reference

Frequently Asked Questions

Common questions about gold pentafluoride, answered from cross-validated data.

What is AuF5?

Gold pentafluoride is a stable semiconducting inorganic compound consisting of gold and fluorine atoms in a high oxidation state.

More questions
What is AuF5 used for?
gold pentafluoride (AuF5) is used in fluorinating agent, chemical synthesis catalyst, and fundamental materials research.
What is the band gap of AuF5?
gold pentafluoride (AuF5) has a DFT-computed band gap of 0.70 eV across 14 reported structures.
Is AuF5 a metal, semiconductor, or insulator?
With a band gap up to 0.70 eV it is a semiconductor.
Is AuF5 thermodynamically stable?
Yes — gold pentafluoride (AuF5) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of AuF5 are known?
14 structures of AuF5 are reported across 3 databases, spanning 4 distinct space groups.
What elements does AuF5 contain?
gold pentafluoride (AuF5) contains Au and F (2 elements).
Where does the data for AuF5 come from?
AuF5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique high-oxidation state gold fluoride, this compound occupies a specialized niche in inorganic chemistry. It represents a distinct structural configuration that highlights the unusual stability of gold when coordinated with multiple fluorine atoms, serving as a benchmark for the study of noble metal halides.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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