Bi4O3F7

Bi4O3F7 is a metastable semiconducting bismuth oxyfluoride used in advanced materials research.

BiFO
Crystal structure of Bi4O3F7
Ground-state structure · Materials Project
Overview

About Bi4O3F7

Bi4O3F7 is a complex bismuth-based oxyfluoride that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique intersection of heavy-metal chemistry and halide-oxide structural motifs, offering distinct pathways for material synthesis and characterization.

This compound is primarily of interest in fundamental materials research, where its structural complexity allows scientists to investigate the interplay between lone-pair effects from bismuth and the electronegativity of fluorine and oxygen. Its existence across multiple reported structures highlights its significance in exploring the phase space of bismuth oxyfluorides.

At a glance

Key Properties

Cross-validated computational properties for Bi4O3F7, aggregated across 3 databases.

Band Gap

0.16 eV
Range across DFT structures

Energy Above Hull

0.088 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Bi4O3F7 is used.

Materials science researchFundamental solid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Bi4O3F7, answered from cross-validated data.

What is Bi4O3F7?

Bi4O3F7 is a metastable semiconducting bismuth oxyfluoride used in advanced materials research.

More questions
What is Bi4O3F7 used for?
Bi4O3F7 is used in materials science research and fundamental solid-state chemistry studies.
What is the band gap of Bi4O3F7?
Bi4O3F7 has a DFT-computed band gap of 0.16 eV across 5 reported structures.
Is Bi4O3F7 a metal, semiconductor, or insulator?
With a band gap up to 0.16 eV it is a semiconductor.
Is Bi4O3F7 thermodynamically stable?
Bi4O3F7 has a lowest energy above hull of 0.088 eV/atom (metastable).
How many polymorphs of Bi4O3F7 are known?
5 structures of Bi4O3F7 are reported across 3 databases, spanning 1 distinct space group.
What elements does Bi4O3F7 contain?
Bi4O3F7 contains Bi, F, and O (3 elements).
Where does the data for Bi4O3F7 come from?
Bi4O3F7 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized bismuth oxyfluoride, Bi4O3F7 occupies a niche position in inorganic chemistry, serving as a distinct example of how metastable phases can be stabilized to study complex coordination environments that are not accessible in more common, highly stable oxides.

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

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