NaIO4
Sodium periodate · Sodium metaperiodate
Sodium periodate is an inorganic salt widely utilized as a powerful oxidizing agent in synthetic organic chemistry.
About Sodium periodate
Sodium periodate is a chemical compound characterized by its semiconducting electronic nature. It is recognized for being near the thermodynamic hull, indicating that it is a stable and readily synthesizable material that has been documented across multiple structural databases.
This compound serves as a critical reagent in organic chemistry, particularly for the oxidative cleavage of vicinal diols. Its ability to facilitate specific chemical transformations makes it a staple in laboratory settings and industrial synthesis processes.
Key Properties
Cross-validated computational properties for Sodium periodate, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of NaIO4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for NaIO4, 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. |
|---|---|---|---|---|---|
| I41/a (No. 88) | tetragonal | 1.88 | 0.0079 | -4.867 | 4.31 |
| — | — | 1.88 | 0.0624 | -0.949 | — |
| I41/a (No. 88) | tetragonal | 1.84 | 0.1366 | -0.710 | — |
| P1 (No. 1) | triclinic | 0.00 | 0.3204 | -4.555 | 3.79 |
| C2 (No. 5) | monoclinic | 0.73 | 0.3618 | -4.513 | 3.41 |
| P1 (No. 1) | triclinic | 0.00 | 1.5607 | -3.314 | 3.72 |
| I41/a (No. 88) | tetragonal | — | — | — | 4.17 |
| I41/a (No. 88) | tetragonal | — | — | — | 4.06 |
| I41/a (No. 88) | tetragonal | — | — | — | 4.25 |
| I41/a (No. 88) | tetragonal | — | — | — | 4.20 |
| I41/a (No. 88) | tetragonal | — | — | — | 3.95 |
| I41/a (No. 88) | tetragonal | — | — | — | 4.20 |
Applications
Where Sodium periodate is used.
Frequently Asked Questions
Common questions about Sodium periodate, answered from cross-validated data.
What is NaIO4?
Sodium periodate is an inorganic salt widely utilized as a powerful oxidizing agent in synthetic organic chemistry.
What is NaIO4 used for?
What is the band gap of NaIO4?
Is NaIO4 a metal, semiconductor, or insulator?
Is NaIO4 thermodynamically stable?
What is the crystal structure of NaIO4?
What is the density of NaIO4?
How many polymorphs of NaIO4 are known?
What elements does NaIO4 contain?
Where does the data for NaIO4 come from?
How It Compares
As a primary representative of the periodate class, this compound serves as a benchmark for oxidative reactivity and structural stability in inorganic chemistry.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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