Li5FeF8

Li5FeF8 is a metastable, insulating fluoride compound composed of lithium, iron, and fluorine.

FFeLi
Crystal structure of Li5FeF8
Ground-state structure · Materials Project
Overview

About Li5FeF8

Li5FeF8 is a complex fluoride compound that exhibits wide-band-gap insulating behavior. As a metastable phase, it represents a unique structural configuration within the lithium-iron-fluorine system, offering insights into the coordination chemistry of transition metal fluorides.

Its significance lies in its role as a specialized inorganic material, often studied for its structural diversity. The compound is of interest to researchers investigating the stability and electronic properties of lithium-rich fluoride frameworks.

At a glance

Key Properties

Cross-validated computational properties for Li5FeF8, aggregated across 3 databases.

Band Gap

3.87 eV
Range across DFT structures

Energy Above Hull

0.043 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about Li5FeF8, answered from cross-validated data.

What is Li5FeF8?

Li5FeF8 is a metastable, insulating fluoride compound composed of lithium, iron, and fluorine.

More questions
What is the band gap of Li5FeF8?
Li5FeF8 has a DFT-computed band gap of 3.87 eV across 5 reported structures.
Is Li5FeF8 a metal, semiconductor, or insulator?
With a wide band gap up to 3.87 eV it is an insulator / wide-band-gap material.
Is Li5FeF8 thermodynamically stable?
Li5FeF8 has a lowest energy above hull of 0.043 eV/atom (metastable).
How many polymorphs of Li5FeF8 are known?
5 structures of Li5FeF8 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li5FeF8 contain?
Li5FeF8 contains F, Fe, and Li (3 elements).
Where does the data for Li5FeF8 come from?
Li5FeF8 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a metastable fluoride, Li5FeF8 occupies a niche position in the landscape of inorganic materials. Unlike more common, thermodynamically stable phases, this compound highlights the complexity of synthesis and structural arrangement in multi-component fluoride systems.

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

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