CrF4

Chromium tetrafluoride is a stable, semiconducting binary compound of chromium and fluorine known for its structural complexity.

CrF
Crystal structure of CrF4
Ground-state structure · Materials Project
Overview

About CrF4

Chromium tetrafluoride is a binary inorganic compound composed of chromium and fluorine. As a thermodynamically stable material located on the convex hull, it represents a robust phase within the chromium-fluorine system. Its electronic character is defined as semiconducting, making it a subject of interest for fundamental studies in transition metal halides. The compound is characterized by significant structural diversity, with numerous reported configurations across various databases, highlighting its complex coordination chemistry. These structural variations are essential for understanding the bonding environments and electronic states inherent to chromium fluorides.

At a glance

Key Properties

Cross-validated computational properties for CrF4, aggregated across 3 databases.

Band Gap

0.33–1.57 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

23
3 databases, 12 space groups
Uses

Applications

Where CrF4 is used.

Inorganic synthesisFluorinating agentMaterials science research
Reference

Frequently Asked Questions

Common questions about CrF4, answered from cross-validated data.

What is CrF4?

Chromium tetrafluoride is a stable, semiconducting binary compound of chromium and fluorine known for its structural complexity.

More questions
What is CrF4 used for?
CrF4 is used in inorganic synthesis, fluorinating agent, and materials science research.
What is the band gap of CrF4?
CrF4 has a DFT-computed band gap of 0.33–1.57 eV across 23 reported structures.
Is CrF4 a metal, semiconductor, or insulator?
With a band gap up to 1.57 eV it is a semiconductor.
Is CrF4 thermodynamically stable?
Yes — CrF4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of CrF4 are known?
23 structures of CrF4 are reported across 3 databases, spanning 12 distinct space groups.
What elements does CrF4 contain?
CrF4 contains Cr and F (2 elements).
Where does the data for CrF4 come from?
CrF4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct chromium fluoride, this compound serves as a critical reference point for understanding the stability and electronic behavior of mid-valent transition metal halides. Its position on the convex hull distinguishes it as a stable phase, providing a benchmark for evaluating the properties of other chromium-based fluoride compounds.

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

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