ZrF4

Zirconium tetrafluoride · Zirconium(IV) fluoride

Zirconium tetrafluoride is a stable, insulating fluoride compound widely used in the development of specialized infrared-transmitting glasses.

FZr
Crystal structure of ZrF4
Ground-state structure · Materials Project
Overview

About Zirconium tetrafluoride

Zirconium tetrafluoride is a thermodynamically stable inorganic compound that serves as a critical component in advanced materials science. As a wide-gap insulator, it possesses electronic properties that make it highly resistant to electrical conduction, which is essential for its role in specialized optical applications.

Its structural versatility is highlighted by a significant number of reported crystal configurations, reflecting its importance in chemical research. This compound is primarily utilized in the synthesis of fluoride glasses, which are valued for their unique transparency profiles in the infrared spectrum.

At a glance

Key Properties

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

Band Gap

4.36–5.35 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

59
3 databases, 17 space groups
Uses

Applications

Where Zirconium tetrafluoride is used.

Fluoride glass productionOptical fiber manufacturingChemical vapor deposition precursorsInfrared optical components
Intellectual Property

Patent Landscape

2 patents reference ZrF4 or close compositional variants.

PatentTitleAssigneeGranted
4937054Method of regenerating ZrF.sub.4 pickling solutions
4330342Process for regenerating spent pickle liquid containing ZrF.sub.4
Reference

Frequently Asked Questions

Common questions about Zirconium tetrafluoride, answered from cross-validated data.

What is ZrF4?

Zirconium tetrafluoride is a stable, insulating fluoride compound widely used in the development of specialized infrared-transmitting glasses.

More questions
What is ZrF4 used for?
Zirconium tetrafluoride (ZrF4) is used in fluoride glass production, optical fiber manufacturing, chemical vapor deposition precursors, and infrared optical components.
What is the band gap of ZrF4?
Zirconium tetrafluoride (ZrF4) has a DFT-computed band gap of 4.36–5.35 eV across 59 reported structures.
Is ZrF4 a metal, semiconductor, or insulator?
With a wide band gap up to 5.35 eV it is an insulator / wide-band-gap material.
Is ZrF4 thermodynamically stable?
Yes — Zirconium tetrafluoride (ZrF4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of ZrF4 are known?
59 structures of ZrF4 are reported across 3 databases, spanning 17 distinct space groups.
What elements does ZrF4 contain?
Zirconium tetrafluoride (ZrF4) contains F and Zr (2 elements).
Where does the data for ZrF4 come from?
ZrF4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone representative of its class in this context, zirconium tetrafluoride serves as a foundational fluoride material, setting the standard for stability and optical performance in high-purity glass manufacturing.

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

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