IrF6

Iridium hexafluoride · Iridium(VI) fluoride

Iridium hexafluoride is a stable semiconducting compound of iridium and fluorine used in specialized chemical applications.

Crystal structure of IrF6
Ground-state structure · Materials Project
Overview

About Iridium hexafluoride

Iridium hexafluoride is a notable member of the platinum-group compounds, characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration within its chemical family.

This compound is primarily utilized in advanced chemical research, particularly where high-fluorine-content environments are required. Its structural integrity and electronic properties make it a valuable subject for studies concerning the behavior of heavy transition metals in highly oxidized states.

At a glance

Key Properties

Cross-validated computational properties for Iridium hexafluoride, aggregated across 3 databases.

Band Gap

0.77 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

17
3 databases, 4 space groups
Uses

Applications

Where Iridium hexafluoride is used.

Chemical synthesisFluorinating agentMaterials science research
Reference

Frequently Asked Questions

Common questions about Iridium hexafluoride, answered from cross-validated data.

What is IrF6?

Iridium hexafluoride is a stable semiconducting compound of iridium and fluorine used in specialized chemical applications.

More questions
What is IrF6 used for?
Iridium hexafluoride (IrF6) is used in chemical synthesis, fluorinating agent, and materials science research.
What is the band gap of IrF6?
Iridium hexafluoride (IrF6) has a DFT-computed band gap of 0.77 eV across 17 reported structures.
Is IrF6 a metal, semiconductor, or insulator?
With a band gap up to 0.77 eV it is a semiconductor.
Is IrF6 thermodynamically stable?
Yes — Iridium hexafluoride (IrF6) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of IrF6 are known?
17 structures of IrF6 are reported across 3 databases, spanning 4 distinct space groups.
What elements does IrF6 contain?
Iridium hexafluoride (IrF6) contains F and Ir (2 elements).
Where does the data for IrF6 come from?
IrF6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Unlike many metallic platinum-group alloys such as LaRh or BaPd, IrF6 is defined by its fluoride-based chemistry and semiconducting nature, setting it apart from the more traditional intermetallic phases like As2Ir or GeRu found in the same class.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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

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