CrF5

Chromium pentafluoride is a stable, semiconducting fluoride compound primarily used as a potent fluorinating agent in chemical synthesis.

CrF
Crystal structure of CrF5
Ground-state structure · Materials Project
Overview

About CrF5

Chromium pentafluoride is a thermodynamically stable inorganic compound that exists on the convex hull, indicating significant structural robustness. As a semiconducting material, it represents a specialized fluoride phase that has been extensively characterized across multiple structural databases. Its stability and electronic nature make it a subject of interest for researchers investigating high-oxidation-state transition metal fluorides. The material is utilized primarily as a powerful fluorinating agent in synthetic chemistry, where its ability to donate fluorine atoms facilitates the creation of complex inorganic and organic molecules. Its role is defined by its high reactivity and the precise control it offers in delicate chemical transformations.

At a glance

Key Properties

Cross-validated computational properties for CrF5, aggregated across 4 databases.

Band Gap

0.77–1.45 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

28
4 databases, 8 space groups
Uses

Applications

Where CrF5 is used.

Fluorinating agentChemical synthesisInorganic research
Reference

Frequently Asked Questions

Common questions about CrF5, answered from cross-validated data.

What is CrF5?

Chromium pentafluoride is a stable, semiconducting fluoride compound primarily used as a potent fluorinating agent in chemical synthesis.

More questions
What is CrF5 used for?
CrF5 is used in fluorinating agent, chemical synthesis, and inorganic research.
What is the band gap of CrF5?
CrF5 has a DFT-computed band gap of 0.77–1.45 eV across 28 reported structures.
Is CrF5 a metal, semiconductor, or insulator?
With a band gap up to 1.45 eV it is a semiconductor.
Is CrF5 thermodynamically stable?
Yes — CrF5 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of CrF5 are known?
28 structures of CrF5 are reported across 4 databases, spanning 8 distinct space groups.
What elements does CrF5 contain?
CrF5 contains Cr and F (2 elements).
Where does the data for CrF5 come from?
CrF5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct transition metal fluoride, this compound serves as a critical reference point for understanding the behavior of chromium in high-valence states. While it lacks direct structural siblings in this specific dataset, it is recognized for its relative stability compared to other volatile or highly reactive fluorinating agents, positioning it as a reliable tool for specialized laboratory applications.

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

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