Li6Mn2OF11
Li6Mn2OF11 is a metastable, fluorine-containing layered lithium transition-metal oxide being studied for its semiconducting properties in electrochemical applications.
About Li6Mn2OF11
Li6Mn2OF11 is a complex, metastable member of the layered lithium transition-metal oxide family. Featuring a unique combination of lithium, manganese, oxygen, and fluorine, this compound exhibits semiconducting electronic behavior that distinguishes it from more traditional oxide-only frameworks. Its structural complexity is highlighted by its presence in multiple crystallographic databases, reflecting significant interest in its potential for advanced electrochemical systems.
As a material that deviates from standard stoichiometry, it serves as a subject for investigating ion mobility and structural stability in energy storage applications. Its metastable nature suggests that it may offer unique pathways for lithium-ion transport, providing researchers with a distinct alternative to conventional cathode materials that rely on more common transition metal configurations.
Key Properties
Cross-validated computational properties for Li6Mn2OF11, 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.
Reported Structures
Lowest-energy structures reported for Li6Mn2OF11, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 1.12 | 0.0402 | -5.682 | 3.02 |
| P1 (No. 1) | triclinic | 0.41 | 0.6514 | -5.070 | 3.03 |
| P1 (No. 1) | triclinic | 0.00 | 1.5068 | -4.215 | 3.03 |
| P1 (No. 1) | Triclinic | — | — | — | 3.02 |
| P1 (No. 1) | Triclinic | — | — | — | 3.21 |
| P1 (No. 1) | Triclinic | — | — | — | 3.16 |
| C2 (No. 5) | — | — | — | — | — |
Applications
Where Li6Mn2OF11 is used.
Frequently Asked Questions
Common questions about Li6Mn2OF11, answered from cross-validated data.
What is Li6Mn2OF11?
Li6Mn2OF11 is a metastable, fluorine-containing layered lithium transition-metal oxide being studied for its semiconducting properties in electrochemical applications.
What is Li6Mn2OF11 used for?
What is the band gap of Li6Mn2OF11?
Is Li6Mn2OF11 a metal, semiconductor, or insulator?
Is Li6Mn2OF11 thermodynamically stable?
What is the crystal structure of Li6Mn2OF11?
What is the density of Li6Mn2OF11?
How many polymorphs of Li6Mn2OF11 are known?
What elements does Li6Mn2OF11 contain?
Where does the data for Li6Mn2OF11 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Unlike the widely utilized and thermodynamically stable LiCoO2 or the classic spinel LiMn2O4, Li6Mn2OF11 occupies a more niche, metastable space within the layered oxide class. While siblings like LiNiO2 and Li2MnO3 are foundational to commercial battery technology, this compound represents a more experimental frontier, utilizing fluorine to modify the coordination environment in a way that differs from the pure oxide structures of its counterparts.
Related Compounds
Other Layered Lithium Transition-Metal Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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