Na2U2O7

sodium diuranate · yellow cake

Sodium diuranate is a stable, semiconducting uranium-based oxide frequently encountered in the industrial processing and refining of uranium.

NaOU
Crystal structure of Na2U2O7 (monoclinic, C2/m (No. 12))
Ground-state structure · Materials Project
Overview

About sodium diuranate

Sodium diuranate is a thermodynamically stable oxide that occupies a significant position in uranium chemistry. Characterized by its semiconducting electronic nature, this compound represents a robust phase within the sodium-uranium-oxygen system, frequently appearing as a product in the processing of uranium ores. Its structural integrity is well-documented, with numerous reported configurations across scientific databases.

Beyond its fundamental role in inorganic chemistry, this material is historically significant due to its association with the refinement and recovery of uranium. Its stability and distinct chemical properties make it a subject of ongoing interest for researchers studying actinide-based materials and their potential applications in specialized industrial processes.

At a glance

Key Properties

Cross-validated computational properties for sodium diuranate, aggregated across 3 databases.

Band Gap

1.56–1.66 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

15
3 databases, 5 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Na2U2O7, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
C2/m (No. 12)monoclinic1.560.0000-8.7206.60
P21/c (No. 14)monoclinic1.610.0013-8.7196.27
P21 (No. 4)monoclinic1.600.0043-8.7166.21
P21/m (No. 11)monoclinic1.660.0046-8.7156.58
Pm (No. 6)monoclinic1.560.0620-8.6586.28
C2/m (No. 12)Monoclinic6.25
C2/m (No. 12)Monoclinic6.60
C2/m (No. 12)Monoclinic6.36
Pm (No. 6)Monoclinic6.28
Pm (No. 6)Monoclinic6.62
Pm (No. 6)Monoclinic6.39
P21/m (No. 11)Monoclinic6.31
Uses

Applications

Where sodium diuranate is used.

Uranium ore processingPigment manufacturingNuclear fuel cycle research
Reference

Frequently Asked Questions

Common questions about sodium diuranate, answered from cross-validated data.

What is Na2U2O7?

Sodium diuranate is a stable, semiconducting uranium-based oxide frequently encountered in the industrial processing and refining of uranium.

More questions
What is Na2U2O7 used for?
sodium diuranate (Na2U2O7) is used in uranium ore processing, pigment manufacturing, and nuclear fuel cycle research.
What is the band gap of Na2U2O7?
sodium diuranate (Na2U2O7) has a DFT-computed band gap of 1.56–1.66 eV across 15 reported structures.
Is Na2U2O7 a metal, semiconductor, or insulator?
With a band gap up to 1.66 eV it is a semiconductor.
Is Na2U2O7 thermodynamically stable?
Yes — sodium diuranate (Na2U2O7) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Na2U2O7?
The lowest-energy reported polymorph of sodium diuranate (Na2U2O7) is monoclinic symmetry, space group C2/m (No. 12).
What is the density of Na2U2O7?
The computed density of the ground-state structure of sodium diuranate (Na2U2O7) is 6.60 g/cm³.
How many polymorphs of Na2U2O7 are known?
15 structures of Na2U2O7 are reported across 3 databases, spanning 5 distinct space groups.
What elements does Na2U2O7 contain?
sodium diuranate (Na2U2O7) contains Na, O, and U (3 elements).
Where does the data for Na2U2O7 come from?
Na2U2O7 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a primary sodium uranate phase, this compound serves as a critical reference point for understanding the behavior of alkali metal uranates, representing a stable endpoint in the reaction of sodium with uranium-bearing materials.

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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