Mn2F7
This compound is a manganese fluoride characterized by a high oxidation state of the metal center. It is primarily studied in the context of inorganic fluorine chemistry and as a specialized fluorinating agent in laboratory research settings.
FMn
Overview
Key Properties
Cross-validated computational properties for Mn2F7, 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.
0.25–1.81 eV
Range across DFT structures
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.
0.015 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
12
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Mn2F7, 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. |
|---|---|---|---|---|---|
| P21 (No. 4) | monoclinic | 0.65 | 0.0151 | -6.070 | 3.52 |
| C2/c (No. 15) | monoclinic | 0.25 | 0.0551 | -6.030 | 3.18 |
| P21/c (No. 14) | monoclinic | 0.46 | 0.0640 | -6.021 | 3.11 |
| P-1 (No. 2) | triclinic | 1.81 | 0.0647 | -6.020 | 3.32 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.45 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.18 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.22 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.07 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 2.98 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.29 |
Uses
Applications
Where Mn2F7 is used.
Chemical synthesisFluorination researchInorganic materials study
Reference
Frequently Asked Questions
Common questions about Mn2F7, answered from cross-validated data.
What is Mn2F7?
This compound is a manganese fluoride characterized by a high oxidation state of the metal center. It is primarily studied in the context of inorganic fluorine chemistry and as a specialized fluorinating agent in laboratory research settings.
More questions
What is Mn2F7 used for?
Mn2F7 is used in chemical synthesis, fluorination research, and inorganic materials study.
What is the band gap of Mn2F7?
Mn2F7 has a DFT-computed band gap of 0.25–1.81 eV across 12 reported structures.
Is Mn2F7 a metal, semiconductor, or insulator?
With a band gap up to 1.81 eV it is a semiconductor.
Is Mn2F7 thermodynamically stable?
Mn2F7 has a lowest energy above hull of 0.015 eV/atom (near hull (likely stable)).
What is the crystal structure of Mn2F7?
The lowest-energy reported polymorph of Mn2F7 is monoclinic symmetry, space group P21 (No. 4).
What is the density of Mn2F7?
The computed density of the ground-state structure of Mn2F7 is 3.52 g/cm³.
How many polymorphs of Mn2F7 are known?
12 structures of Mn2F7 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Mn2F7 contain?
Mn2F7 contains F and Mn (2 elements).
Where does the data for Mn2F7 come from?
Mn2F7 data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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