CoF3

cobalt trifluoride · cobalt(III) fluoride

Cobalt trifluoride is a stable, semiconducting inorganic compound widely utilized as a potent fluorinating agent in industrial chemical synthesis.

CoF
Crystal structure of CoF3
Ground-state structure · Materials Project
Overview

About cobalt trifluoride

Cobalt trifluoride is a robust inorganic compound that exists as a thermodynamically stable phase on the convex hull. Its electronic character is defined as semiconducting, making it a distinct material within the broader landscape of metal fluorides. The compound is extensively documented in structural databases, reflecting its significance in solid-state chemistry.

Due to its high reactivity, this material serves as a critical reagent in industrial chemical processes. It is particularly valued for its ability to facilitate selective fluorination, which is essential for the production of various fluorinated organic compounds used in modern technology and pharmaceuticals.

At a glance

Key Properties

Cross-validated computational properties for cobalt trifluoride, aggregated across 3 databases.

Band Gap

0.16–1.64 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

115
3 databases, 24 space groups
Uses

Applications

Where cobalt trifluoride is used.

Fluorinating agent in organic synthesisProduction of perfluorinated compoundsChemical manufacturing
Reference

Frequently Asked Questions

Common questions about cobalt trifluoride, answered from cross-validated data.

What is CoF3?

Cobalt trifluoride is a stable, semiconducting inorganic compound widely utilized as a potent fluorinating agent in industrial chemical synthesis.

More questions
What is CoF3 used for?
cobalt trifluoride (CoF3) is used in fluorinating agent in organic synthesis, production of perfluorinated compounds, and chemical manufacturing.
What is the band gap of CoF3?
cobalt trifluoride (CoF3) has a DFT-computed band gap of 0.16–1.64 eV across 115 reported structures.
Is CoF3 a metal, semiconductor, or insulator?
With a band gap up to 1.64 eV it is a semiconductor.
Is CoF3 thermodynamically stable?
Yes — cobalt trifluoride (CoF3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of CoF3 are known?
115 structures of CoF3 are reported across 3 databases, spanning 24 distinct space groups.
What elements does CoF3 contain?
cobalt trifluoride (CoF3) contains Co and F (2 elements).
Where does the data for CoF3 come from?
CoF3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a highly stable and well-characterized fluoride, this compound occupies a central role in the study of transition metal halides. It serves as a benchmark for understanding the structural and chemical behavior of trivalent cobalt systems, providing a foundational reference point for researchers exploring the properties of related metal-fluorine frameworks.

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

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