I2O5

Iodine pentoxide · Iodic anhydride

Iodine pentoxide is a stable, semiconducting chemical compound used primarily as a potent oxidizing agent and in carbon monoxide detection.

IO
Crystal structure of I2O5 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About Iodine pentoxide

Iodine pentoxide is a thermodynamically stable oxide that serves as the anhydride of iodic acid. Its semiconducting electronic character and robust structural integrity make it a significant compound in inorganic chemistry, characterized by a well-documented structural profile across multiple databases.

This material is primarily valued for its high reactivity as an oxidant. It is frequently employed in specialized chemical sensing and analytical applications, particularly for the detection and removal of carbon monoxide from gas streams.

At a glance

Key Properties

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

Band Gap

2.73 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, 7 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for I2O5, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic2.730.0000-4.7265.16
C2/m (No. 12)Monoclinic7.07
P1 (No. 1)Triclinic8.82
P1 (No. 1)Triclinic5.88
Cm (No. 8)Monoclinic6.84
P1 (No. 1)Triclinic6.74
C2 (No. 5)Monoclinic5.21
C2 (No. 5)Monoclinic5.79
P21/c (No. 14)Monoclinic4.72
P21/c (No. 14)
Cm (No. 8)Monoclinic9.01
C2/m (No. 12)Monoclinic5.46
Uses

Applications

Where Iodine pentoxide is used.

Carbon monoxide detectionOxidizing agent in chemical synthesisAnalytical reagent
Reference

Frequently Asked Questions

Common questions about Iodine pentoxide, answered from cross-validated data.

What is I2O5?

Iodine pentoxide is a stable, semiconducting chemical compound used primarily as a potent oxidizing agent and in carbon monoxide detection.

More questions
What is I2O5 used for?
Iodine pentoxide (I2O5) is used in carbon monoxide detection, oxidizing agent in chemical synthesis, and analytical reagent.
What is the band gap of I2O5?
Iodine pentoxide (I2O5) has a DFT-computed band gap of 2.73 eV across 23 reported structures.
Is I2O5 a metal, semiconductor, or insulator?
With a band gap up to 2.73 eV it is a semiconductor.
Is I2O5 thermodynamically stable?
Yes — Iodine pentoxide (I2O5) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of I2O5?
The lowest-energy reported polymorph of Iodine pentoxide (I2O5) is monoclinic symmetry, space group P21/c (No. 14).
What is the density of I2O5?
The computed density of the ground-state structure of Iodine pentoxide (I2O5) is 5.16 g/cm³.
How many polymorphs of I2O5 are known?
23 structures of I2O5 are reported across 3 databases, spanning 7 distinct space groups.
What elements does I2O5 contain?
Iodine pentoxide (I2O5) contains I and O (2 elements).
Where does the data for I2O5 come from?
I2O5 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a stable oxide of iodine, this compound represents a unique chemical entity that functions as a specialized reagent, standing apart from more common metallic or transition metal oxides due to its specific oxidative properties and non-metallic composition.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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