HfI4

hafnium(IV) iodide · hafnium tetraiodide

Hafnium(IV) iodide is a stable, insulating inorganic halide used primarily as a precursor in the chemical transport and purification of hafnium metal.

HfI
Crystal structure of HfI4
Ground-state structure · Materials Project
Overview

About hafnium(IV) iodide

Hafnium(IV) iodide is a thermodynamically stable halide compound characterized by its insulating electronic nature. It serves as a critical intermediate in the chemical processing of transition metals, leveraging its volatility and reactivity to facilitate high-purity material synthesis. The compound is highly regarded for its role in specialized chemical vapor transport applications. Its structural versatility is highlighted by a significant number of reported configurations across various databases, reflecting its importance in inorganic chemistry research.

At a glance

Key Properties

Cross-validated computational properties for hafnium(IV) iodide, aggregated across 3 databases.

Band Gap

2.35–3.30 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

21
3 databases, 7 space groups
Uses

Applications

Where hafnium(IV) iodide is used.

Chemical vapor transportPurification of hafnium metalPrecursor for chemical vapor deposition
Reference

Frequently Asked Questions

Common questions about hafnium(IV) iodide, answered from cross-validated data.

What is HfI4?

Hafnium(IV) iodide is a stable, insulating inorganic halide used primarily as a precursor in the chemical transport and purification of hafnium metal.

More questions
What is HfI4 used for?
hafnium(IV) iodide (HfI4) is used in chemical vapor transport, purification of hafnium metal, and precursor for chemical vapor deposition.
What is the band gap of HfI4?
hafnium(IV) iodide (HfI4) has a DFT-computed band gap of 2.35–3.30 eV across 21 reported structures.
Is HfI4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.30 eV it is an insulator / wide-band-gap material.
Is HfI4 thermodynamically stable?
Yes — hafnium(IV) iodide (HfI4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of HfI4 are known?
21 structures of HfI4 are reported across 3 databases, spanning 7 distinct space groups.
What elements does HfI4 contain?
hafnium(IV) iodide (HfI4) contains Hf and I (2 elements).
Where does the data for HfI4 come from?
HfI4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a stable binary halide, hafnium(IV) iodide represents a fundamental building block in the study of group four metal halides. It functions as a primary reagent for vapor-phase transport processes, providing a stable pathway for the isolation and refinement of hafnium compared to more complex or less stable halide counterparts.

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

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