LiFe2F6
LiFe2F6 is a stable, semiconducting inorganic fluoride compound composed of lithium, iron, and fluorine.
About LiFe2F6
LiFe2F6 is a complex fluoride compound characterized by its semiconducting electronic nature. As a material that resides on the thermodynamic convex hull, it exhibits significant structural stability, making it a subject of interest for researchers investigating transition metal fluoride systems.
With multiple reported structures across various databases, this compound represents a well-documented phase in its chemical family. Its specific arrangement of lithium, iron, and fluorine atoms provides a unique framework that is essential for understanding ion mobility and electronic behavior in inorganic fluoride lattices.
Key Properties
Cross-validated computational properties for LiFe2F6, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Synthesis Routes
Literature-extracted synthesis procedures targeting LiFe2F6.
Applications
Where LiFe2F6 is used.
Frequently Asked Questions
Common questions about LiFe2F6, answered from cross-validated data.
What is LiFe2F6?
LiFe2F6 is a stable, semiconducting inorganic fluoride compound composed of lithium, iron, and fluorine.
What is LiFe2F6 used for?
What is the band gap of LiFe2F6?
Is LiFe2F6 a metal, semiconductor, or insulator?
Is LiFe2F6 thermodynamically stable?
How many polymorphs of LiFe2F6 are known?
How is LiFe2F6 synthesized?
What elements does LiFe2F6 contain?
Where does the data for LiFe2F6 come from?
How It Compares
As a thermodynamically stable phase, LiFe2F6 serves as a foundational reference point for studying the broader class of iron-based lithium fluorides. Its stability relative to other potential configurations within the system highlights its importance as a benchmark for experimental synthesis and computational modeling in solid-state chemistry.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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