ClO2
Chlorine dioxide · Chlorine(IV) oxide
Chlorine dioxide is a reddish-yellow gas that functions as a potent oxidizing agent. It is widely utilized in industrial processes for its ability to effectively disinfect water and bleach various materials without forming certain harmful byproducts associated with traditional chlorine treatments.
Key Properties
Cross-validated computational properties for Chlorine dioxide, 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.
Reported Structures
Lowest-energy structures reported for ClO2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 0.96 | 0.0000 | -4.268 | 2.37 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.74 |
| Cmm2 (No. 35) | Orthorhombic | — | — | — | 2.78 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 2.66 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 2.62 |
| Pbca (No. 61) | Orthorhombic | — | — | — | 2.04 |
| Pbca (No. 61) | Orthorhombic | — | — | — | 2.14 |
| Pbca (No. 61) | Orthorhombic | — | — | — | 2.06 |
| P21/m (No. 11) | Monoclinic | — | — | — | 2.47 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.01 |
| Pm (No. 6) | Monoclinic | — | — | — | 1.97 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.04 |
Applications
Where Chlorine dioxide is used.
Frequently Asked Questions
Common questions about Chlorine dioxide, answered from cross-validated data.
What is ClO2?
Chlorine dioxide is a reddish-yellow gas that functions as a potent oxidizing agent. It is widely utilized in industrial processes for its ability to effectively disinfect water and bleach various materials without forming certain harmful byproducts associated with traditional chlorine treatments.
What is ClO2 used for?
What is the band gap of ClO2?
Is ClO2 a metal, semiconductor, or insulator?
Is ClO2 thermodynamically stable?
What is the crystal structure of ClO2?
What is the density of ClO2?
How many polymorphs of ClO2 are known?
What elements does ClO2 contain?
Where does the data for ClO2 come from?
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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