KClO2
potassium chlorite
Potassium chlorite is an inorganic salt composed of potassium and the chlorite anion. It is primarily utilized as a chemical reagent in laboratory settings and in specialized oxidation processes.
ClKO
Overview
Key Properties
Cross-validated computational properties for potassium chlorite, aggregated across 4 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.
2.31 eV
Range across DFT structures
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.
0.338 eV/atom
Best (lowest) across sources
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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
10
4 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for KClO2, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 2.31 | 0.3385 | -4.255 | 2.28 |
| Cmcm (No. 63) | — | — | — | — | — |
| P21/m (No. 11) | Monoclinic | — | — | — | 1.38 |
| P21/m (No. 11) | Monoclinic | — | — | — | 1.45 |
| Cmm2 (No. 35) | Orthorhombic | — | — | — | 3.01 |
| P21/m (No. 11) | Monoclinic | — | — | — | 1.70 |
| P2/c (No. 13) | monoclinic | — | — | — | 0.50 |
| Pnma (No. 62) | orthorhombic | — | — | — | 0.51 |
| Cmme (No. 67) | Orthorhombic | — | — | — | 2.62 |
| Cmme (No. 67) | Orthorhombic | — | — | — | 2.40 |
Uses
Applications
Where potassium chlorite is used.
chemical synthesislaboratory reagentoxidizing agent
Reference
Frequently Asked Questions
Common questions about potassium chlorite, answered from cross-validated data.
What is KClO2?
Potassium chlorite is an inorganic salt composed of potassium and the chlorite anion. It is primarily utilized as a chemical reagent in laboratory settings and in specialized oxidation processes.
More questions
What is KClO2 used for?
potassium chlorite (KClO2) is used in chemical synthesis, laboratory reagent, and oxidizing agent.
What is the band gap of KClO2?
potassium chlorite (KClO2) has a DFT-computed band gap of 2.31 eV across 10 reported structures.
Is KClO2 a metal, semiconductor, or insulator?
With a band gap up to 2.31 eV it is a semiconductor.
Is KClO2 thermodynamically stable?
potassium chlorite (KClO2) has a lowest energy above hull of 0.338 eV/atom (above hull).
What is the crystal structure of KClO2?
The lowest-energy reported polymorph of potassium chlorite (KClO2) is orthorhombic symmetry, space group Cmcm (No. 63).
What is the density of KClO2?
The computed density of the ground-state structure of potassium chlorite (KClO2) is 2.28 g/cm³.
How many polymorphs of KClO2 are known?
10 structures of KClO2 are reported across 4 databases, spanning 6 distinct space groups.
What elements does KClO2 contain?
potassium chlorite (KClO2) contains Cl, K, and O (3 elements).
Where does the data for KClO2 come from?
KClO2 data is cross-referenced from materials_project, jarvis, mpaloe, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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