BiF3

Bismuth trifluoride · Bismuth(III) fluoride

Bismuth trifluoride is a stable, insulating crystalline compound used primarily as a chemical precursor and in advanced material synthesis.

BiF
Crystal structure of BiF3
Ground-state structure · Materials Project
Overview

About Bismuth trifluoride

Bismuth trifluoride is a robust, thermodynamically stable inorganic compound that functions as a wide-band-gap insulator. Its structural integrity is well-documented, with a high volume of reported configurations across various materials databases, highlighting its significance in solid-state chemistry.

As a fluoride of a heavy post-transition metal, it serves as a critical precursor in the synthesis of specialized materials. Its insulating nature and stable crystalline framework make it a valuable subject for research into advanced battery electrolytes and optical coating technologies.

At a glance

Key Properties

Cross-validated computational properties for Bismuth trifluoride, aggregated across 4 databases.

Band Gap

3.96–5.07 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

121
4 databases, 21 space groups
Uses

Applications

Where Bismuth trifluoride is used.

Electrochemical energy storage researchOptical material synthesisPrecursor for bismuth-based compounds
Reference

Frequently Asked Questions

Common questions about Bismuth trifluoride, answered from cross-validated data.

What is BiF3?

Bismuth trifluoride is a stable, insulating crystalline compound used primarily as a chemical precursor and in advanced material synthesis.

More questions
What is BiF3 used for?
Bismuth trifluoride (BiF3) is used in electrochemical energy storage research, optical material synthesis, and precursor for bismuth-based compounds.
What is the band gap of BiF3?
Bismuth trifluoride (BiF3) has a DFT-computed band gap of 3.96–5.07 eV across 121 reported structures.
Is BiF3 a metal, semiconductor, or insulator?
With a wide band gap up to 5.07 eV it is an insulator / wide-band-gap material.
Is BiF3 thermodynamically stable?
Yes — Bismuth trifluoride (BiF3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of BiF3 are known?
121 structures of BiF3 are reported across 4 databases, spanning 21 distinct space groups.
What elements does BiF3 contain?
Bismuth trifluoride (BiF3) contains Bi and F (2 elements).
Where does the data for BiF3 come from?
BiF3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone member of the bismuth fluoride family, BiF3 represents a benchmark for stability within its class. Unlike more reactive or volatile halides, its position on the convex hull ensures it remains a reliable reference point for structural studies and chemical synthesis in fluoride-based systems.

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

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