ReF7

Rhenium heptafluoride · Rhenium(VII) fluoride

Rhenium heptafluoride is a stable, semiconducting compound formed by the combination of rhenium and fluorine.

FRe
Crystal structure of ReF7 (triclinic, P-1 (No. 2))
Ground-state structure · Materials Project
Overview

About Rhenium heptafluoride

Rhenium heptafluoride is a distinct inorganic compound composed of rhenium and fluorine. As a thermodynamically stable member of the metal fluoride family, it sits securely on the convex hull, indicating a robust structural configuration under standard conditions.

This semiconducting material is characterized by its high oxidation state, which influences its chemical reactivity and physical behavior. Its existence across multiple reported structures highlights its significance in the study of transition metal halides and their complex bonding environments.

At a glance

Key Properties

Cross-validated computational properties for Rhenium heptafluoride, aggregated across 3 databases.

Band Gap

1.98 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
Crystallography

Reported Structures

Lowest-energy structures reported for ReF7, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-1 (No. 2)triclinic1.980.0000-11.3914.95
P-1 (No. 2)
P-1 (No. 2)Triclinic4.66
P-1 (No. 2)Triclinic4.89
P-1 (No. 2)Triclinic4.72
Uses

Applications

Where Rhenium heptafluoride is used.

Fluorinating agentChemical vapor deposition precursorCatalysis research
Reference

Frequently Asked Questions

Common questions about Rhenium heptafluoride, answered from cross-validated data.

What is ReF7?

Rhenium heptafluoride is a stable, semiconducting compound formed by the combination of rhenium and fluorine.

More questions
What is ReF7 used for?
Rhenium heptafluoride (ReF7) is used in fluorinating agent, chemical vapor deposition precursor, and catalysis research.
What is the band gap of ReF7?
Rhenium heptafluoride (ReF7) has a DFT-computed band gap of 1.98 eV across 5 reported structures.
Is ReF7 a metal, semiconductor, or insulator?
With a band gap up to 1.98 eV it is a semiconductor.
Is ReF7 thermodynamically stable?
Yes — Rhenium heptafluoride (ReF7) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of ReF7?
The lowest-energy reported polymorph of Rhenium heptafluoride (ReF7) is triclinic symmetry, space group P-1 (No. 2).
What is the density of ReF7?
The computed density of the ground-state structure of Rhenium heptafluoride (ReF7) is 4.95 g/cm³.
How many polymorphs of ReF7 are known?
5 structures of ReF7 are reported across 3 databases, spanning 1 distinct space group.
What elements does ReF7 contain?
Rhenium heptafluoride (ReF7) contains F and Re (2 elements).
Where does the data for ReF7 come from?
ReF7 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

As a unique high-valence fluoride, this compound serves as a critical reference point for understanding the behavior of rhenium in highly fluorinated environments, representing an extreme case of metal-fluorine bonding within the broader class of transition metal fluorides.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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