ZrI4
zirconium tetraiodide · zirconium(IV) iodide
Zirconium tetraiodide is a stable semiconducting compound widely used in the purification and chemical vapor transport of zirconium metal.
About zirconium tetraiodide
Zirconium tetraiodide is a thermodynamically stable halide compound that exhibits semiconducting electronic properties. As a member of the zirconium halide family, it serves as a critical intermediate in chemical processes where high-purity metal is required, leveraging its ability to undergo reversible decomposition at elevated temperatures.
Its structural versatility is highlighted by a significant number of reported crystal phases across multiple databases. This complexity makes it a subject of interest for researchers studying halogen-based transport mechanisms and the fundamental coordination chemistry of transition metal iodides.
Key Properties
Cross-validated computational properties for zirconium tetraiodide, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Applications
Where zirconium tetraiodide is used.
Frequently Asked Questions
Common questions about zirconium tetraiodide, answered from cross-validated data.
What is ZrI4?
Zirconium tetraiodide is a stable semiconducting compound widely used in the purification and chemical vapor transport of zirconium metal.
What is ZrI4 used for?
What is the band gap of ZrI4?
Is ZrI4 a metal, semiconductor, or insulator?
Is ZrI4 thermodynamically stable?
How many polymorphs of ZrI4 are known?
What elements does ZrI4 contain?
Where does the data for ZrI4 come from?
How It Compares
As a standalone representative of the zirconium halide class, this compound is primarily valued for its role in the iodide process, where its distinct thermodynamic profile allows for the efficient purification of zirconium metal through vapor phase transport.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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