MoF6

Molybdenum hexafluoride · Molybdenum(VI) fluoride

Molybdenum hexafluoride is a stable, insulating inorganic compound primarily utilized as a chemical precursor for molybdenum deposition.

FMo
Crystal structure of MoF6
Ground-state structure · Materials Project
Overview

About Molybdenum hexafluoride

Molybdenum hexafluoride is a binary fluoride compound that exists as a wide-band-gap insulator. Its electronic structure and thermodynamic stability make it a significant subject of study within the field of inorganic chemistry, with numerous structural configurations documented across scientific databases. The compound is valued for its specific chemical reactivity, which facilitates its role as a specialized reagent. It is frequently utilized in industrial settings where precise control over molybdenum deposition is required for high-performance material synthesis.

At a glance

Key Properties

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

Band Gap

4.17–4.24 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

21
3 databases, 8 space groups
Uses

Applications

Where Molybdenum hexafluoride is used.

Chemical vapor depositionMetal platingFluorinating agent
Intellectual Property

Patent Landscape

1 patent reference MoF6 or close compositional variants.

PatentTitleAssigneeGranted
12122685Method for preparing MoF6 based on plasma activation of SF6
Reference

Frequently Asked Questions

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

What is MoF6?

Molybdenum hexafluoride is a stable, insulating inorganic compound primarily utilized as a chemical precursor for molybdenum deposition.

More questions
What is MoF6 used for?
Molybdenum hexafluoride (MoF6) is used in chemical vapor deposition, metal plating, and fluorinating agent.
What is the band gap of MoF6?
Molybdenum hexafluoride (MoF6) has a DFT-computed band gap of 4.17–4.24 eV across 21 reported structures.
Is MoF6 a metal, semiconductor, or insulator?
With a wide band gap up to 4.24 eV it is an insulator / wide-band-gap material.
Is MoF6 thermodynamically stable?
Yes — Molybdenum hexafluoride (MoF6) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of MoF6 are known?
21 structures of MoF6 are reported across 3 databases, spanning 8 distinct space groups.
What elements does MoF6 contain?
Molybdenum hexafluoride (MoF6) contains F and Mo (2 elements).
Where does the data for MoF6 come from?
MoF6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a binary transition metal fluoride, Molybdenum hexafluoride serves as a primary example of high-valent metal fluorides. It occupies a distinct position in the landscape of inorganic chemistry due to its stability and specialized handling requirements, setting a benchmark for the synthesis and behavior of related hexafluoride species.

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

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