NpF6

neptunium hexafluoride · neptunium(VI) fluoride

Neptunium hexafluoride is a stable, semiconducting compound of neptunium and fluorine used in nuclear science and actinide separation research.

FNp
Crystal structure of NpF6
Ground-state structure · Materials Project
Overview

About neptunium hexafluoride

Neptunium hexafluoride is a binary inorganic compound consisting of neptunium and fluorine. As a member of the actinide halide family, it exhibits semiconducting electronic properties and maintains thermodynamic stability within its structural phase space.

This compound is primarily significant due to its role in the chemistry of transuranic elements. Its volatility and chemical reactivity make it a subject of interest in advanced nuclear fuel reprocessing and the separation of neptunium from other actinides.

At a glance

Key Properties

Cross-validated computational properties for neptunium hexafluoride, aggregated across 3 databases.

Band Gap

1.15 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where neptunium hexafluoride is used.

nuclear fuel reprocessingactinide isotope separationtransuranic chemical research
Reference

Frequently Asked Questions

Common questions about neptunium hexafluoride, answered from cross-validated data.

What is NpF6?

Neptunium hexafluoride is a stable, semiconducting compound of neptunium and fluorine used in nuclear science and actinide separation research.

More questions
What is NpF6 used for?
neptunium hexafluoride (NpF6) is used in nuclear fuel reprocessing, actinide isotope separation, and transuranic chemical research.
What is the band gap of NpF6?
neptunium hexafluoride (NpF6) has a DFT-computed band gap of 1.15 eV across 5 reported structures.
Is NpF6 a metal, semiconductor, or insulator?
With a band gap up to 1.15 eV it is a semiconductor.
Is NpF6 thermodynamically stable?
Yes — neptunium hexafluoride (NpF6) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of NpF6 are known?
5 structures of NpF6 are reported across 3 databases, spanning 1 distinct space group.
What elements does NpF6 contain?
neptunium hexafluoride (NpF6) contains F and Np (2 elements).
Where does the data for NpF6 come from?
NpF6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a volatile actinide hexafluoride, this compound serves as a critical reference point for understanding the periodic trends in stability and reactivity among the heavy transuranic fluorides.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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