FeF6

FeF6 is a thermodynamically stable semiconducting binary fluoride compound.

FFe
Crystal structure of FeF6
Ground-state structure · Materials Project
Overview

About FeF6

FeF6 is a binary fluoride compound that exhibits semiconducting electronic properties. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of iron and fluorine atoms that maintains structural integrity under standard conditions.

This material is of significant interest for fundamental studies in inorganic chemistry and solid-state physics. Its existence across multiple reported structures highlights its structural versatility and potential for exploration in various high-performance material applications.

At a glance

Key Properties

Cross-validated computational properties for FeF6, aggregated across 2 databases.

Band Gap

0.53 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

16
2 databases, 6 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting FeF6.

Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where FeF6 is used.

Solid-state researchInorganic materials developmentFundamental chemical studies
Reference

Frequently Asked Questions

Common questions about FeF6, answered from cross-validated data.

What is FeF6?

FeF6 is a thermodynamically stable semiconducting binary fluoride compound.

More questions
What is FeF6 used for?
FeF6 is used in solid-state research, inorganic materials development, and fundamental chemical studies.
What is the band gap of FeF6?
FeF6 has a DFT-computed band gap of 0.53 eV across 16 reported structures.
Is FeF6 a metal, semiconductor, or insulator?
With a band gap up to 0.53 eV it is a semiconductor.
Is FeF6 thermodynamically stable?
Yes — FeF6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of FeF6 are known?
16 structures of FeF6 are reported across 2 databases, spanning 6 distinct space groups.
How is FeF6 synthesized?
Literature-reported routes for FeF6 include solid state (2 procedures documented).
What elements does FeF6 contain?
FeF6 contains F and Fe (2 elements).
Where does the data for FeF6 come from?
FeF6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct binary fluoride, FeF6 serves as a foundational reference point for understanding iron-fluorine bonding environments. It occupies a unique position in the landscape of transition metal halides, providing a stable baseline for researchers investigating the electronic and structural evolution of similar metal-fluoride systems.

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

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