RuO4

Ruthenium tetroxide · Ruthenium(VIII) oxide

Ruthenium tetroxide is a stable semiconducting oxide widely utilized as a powerful oxidizing agent and catalyst in chemical synthesis.

Crystal structure of RuO4 (cubic, P-43n (No. 218))
Ground-state structure · Materials Project
Overview

About Ruthenium tetroxide

Ruthenium tetroxide is a distinctive semiconducting oxide that plays a critical role in advanced chemical synthesis. As a thermodynamically stable member of the oxygen-evolution catalyst family, it is highly valued for its reactivity and efficiency in facilitating complex oxidation pathways. Its unique electronic structure allows it to participate effectively in catalytic cycles, making it a specialized reagent in laboratory and industrial settings. The compound is widely recognized for its ability to drive challenging chemical transformations, supported by a significant body of structural data that underscores its reliability in diverse catalytic environments.

At a glance

Key Properties

Cross-validated computational properties for Ruthenium tetroxide, aggregated across 3 databases.

Band Gap

2.39–2.47 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

33
3 databases, 12 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for RuO4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-43n (No. 218)cubic2.470.0000-6.9953.61
C2/c (No. 15)monoclinic2.390.0002-6.9953.63
C2/m (No. 12)Monoclinic5.21
P-1 (No. 2)Triclinic5.03
C2/c (No. 15)
Pm (No. 6)Monoclinic5.12
P4mm (No. 99)Tetragonal5.13
Pm (No. 6)Monoclinic5.12
Cm (No. 8)Monoclinic5.18
Cm (No. 8)Monoclinic4.58
C2/m (No. 12)Monoclinic5.05
C2/m (No. 12)Monoclinic4.59
Uses

Applications

Where Ruthenium tetroxide is used.

Organic synthesisOxidation catalystStaining agent in electron microscopy
Reference

Frequently Asked Questions

Common questions about Ruthenium tetroxide, answered from cross-validated data.

What is RuO4?

Ruthenium tetroxide is a stable semiconducting oxide widely utilized as a powerful oxidizing agent and catalyst in chemical synthesis.

More questions
What is RuO4 used for?
Ruthenium tetroxide (RuO4) is used in organic synthesis, oxidation catalyst, and staining agent in electron microscopy.
What is the band gap of RuO4?
Ruthenium tetroxide (RuO4) has a DFT-computed band gap of 2.39–2.47 eV across 33 reported structures.
Is RuO4 a metal, semiconductor, or insulator?
With a band gap up to 2.47 eV it is a semiconductor.
Is RuO4 thermodynamically stable?
Yes — Ruthenium tetroxide (RuO4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of RuO4?
The lowest-energy reported polymorph of Ruthenium tetroxide (RuO4) is cubic symmetry, space group P-43n (No. 218).
What is the density of RuO4?
The computed density of the ground-state structure of Ruthenium tetroxide (RuO4) is 3.61 g/cm³.
How many polymorphs of RuO4 are known?
33 structures of RuO4 are reported across 3 databases, spanning 12 distinct space groups.
What elements does RuO4 contain?
Ruthenium tetroxide (RuO4) contains O and Ru (2 elements).
Where does the data for RuO4 come from?
RuO4 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Unlike the more common transition metal oxides such as NiO or the layered lithium-based battery materials like LiCoO2, ruthenium tetroxide is characterized by its high oxidation state and distinct volatility. While many of its siblings in the oxygen-evolution catalyst class, such as LaMnO3 or BiFeO3, are typically utilized as solid-state perovskite frameworks, this compound functions as a potent molecular oxidant, setting it apart from the more traditional ceramic-like oxides in the group.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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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