LiFeOF2

LiFeOF2 is a metastable semiconducting oxyfluoride compound studied for its complex structural arrangements and potential utility in materials research.

FFeLiO
Crystal structure of LiFeOF2
Ground-state structure · Materials Project
Overview

About LiFeOF2

LiFeOF2 is a complex oxyfluoride compound characterized by its semiconducting electronic nature. As a metastable material, it represents a unique structural configuration that bridges the properties of traditional oxides and fluorides, offering a distinct chemical environment for iron ions.

Its significance lies in its structural diversity, with numerous reported crystalline arrangements that suggest a flexible lattice capable of hosting various coordination environments. This makes it a subject of interest for researchers investigating new pathways for ion transport and electronic modulation in solid-state systems.

At a glance

Key Properties

Cross-validated computational properties for LiFeOF2, aggregated across 3 databases.

Band Gap

0.08–2.47 eV
Range across DFT structures

Energy Above Hull

0.040 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

13
3 databases, 4 space groups
Uses

Applications

Where LiFeOF2 is used.

Solid-state ion transport researchAdvanced materials characterizationEnergy storage material exploration
Reference

Frequently Asked Questions

Common questions about LiFeOF2, answered from cross-validated data.

What is LiFeOF2?

LiFeOF2 is a metastable semiconducting oxyfluoride compound studied for its complex structural arrangements and potential utility in materials research.

More questions
What is LiFeOF2 used for?
LiFeOF2 is used in solid-state ion transport research, advanced materials characterization, and energy storage material exploration.
What is the band gap of LiFeOF2?
LiFeOF2 has a DFT-computed band gap of 0.08–2.47 eV across 13 reported structures.
Is LiFeOF2 a metal, semiconductor, or insulator?
With a band gap up to 2.47 eV it is a semiconductor.
Is LiFeOF2 thermodynamically stable?
LiFeOF2 has a lowest energy above hull of 0.040 eV/atom (metastable).
How many polymorphs of LiFeOF2 are known?
13 structures of LiFeOF2 are reported across 3 databases, spanning 4 distinct space groups.
What elements does LiFeOF2 contain?
LiFeOF2 contains F, Fe, Li, and O (4 elements).
Where does the data for LiFeOF2 come from?
LiFeOF2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique oxyfluoride, LiFeOF2 occupies a specialized niche in materials science, serving as a model for understanding how mixed-anion frameworks influence electronic and structural stability in the absence of more common, highly symmetric analogs.

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

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