MnF2

manganese(II) fluoride · manganous fluoride

Manganese(II) fluoride is a stable, insulating inorganic salt frequently utilized in optical materials and chemical synthesis.

FMn
Crystal structure of MnF2 (orthorhombic, Pbcn (No. 60))
Ground-state structure · Materials Project
Overview

About manganese(II) fluoride

Manganese(II) fluoride is a stable inorganic compound characterized by its wide-band-gap insulating electronic profile. Its position on the convex hull ensures robust thermodynamic stability, making it a reliable subject for structural studies and material synthesis. The compound is highly data-rich, with extensive structural characterization available across multiple databases. This wealth of information supports its utility in research environments where precise control over manganese-fluorine bonding is required.

At a glance

Key Properties

Cross-validated computational properties for manganese(II) fluoride, aggregated across 3 databases.

Band Gap

2.36–3.28 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

207
3 databases, 29 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for MnF2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pbcn (No. 60)orthorhombic2.360.0000-7.2974.02
P42/mnm (No. 136)tetragonal2.540.0002-7.2973.93
P-43m (No. 215)cubic3.090.0204-7.2764.48
P-42m (No. 111)tetragonal3.280.0547-7.2424.20
Cm (No. 8)Monoclinic2.55
P2/m (No. 10)Monoclinic5.27
C2/c (No. 15)Monoclinic6.57
C2/c (No. 15)Monoclinic3.79
C2/c (No. 15)Monoclinic4.65
Cm (No. 8)Monoclinic6.05
P1 (No. 1)Triclinic4.01
Cm (No. 8)Monoclinic4.73
Uses

Applications

Where manganese(II) fluoride is used.

optical coatingscatalysissolid-state laser materials
Reference

Frequently Asked Questions

Common questions about manganese(II) fluoride, answered from cross-validated data.

What is MnF2?

Manganese(II) fluoride is a stable, insulating inorganic salt frequently utilized in optical materials and chemical synthesis.

More questions
What is MnF2 used for?
manganese(II) fluoride (MnF2) is used in optical coatings, catalysis, and solid-state laser materials.
What is the band gap of MnF2?
manganese(II) fluoride (MnF2) has a DFT-computed band gap of 2.36–3.28 eV across 207 reported structures.
Is MnF2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.28 eV it is an insulator / wide-band-gap material.
Is MnF2 thermodynamically stable?
Yes — manganese(II) fluoride (MnF2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of MnF2?
The lowest-energy reported polymorph of manganese(II) fluoride (MnF2) is orthorhombic symmetry, space group Pbcn (No. 60).
What is the density of MnF2?
The computed density of the ground-state structure of manganese(II) fluoride (MnF2) is 4.02 g/cm³.
How many polymorphs of MnF2 are known?
207 structures of MnF2 are reported across 3 databases, spanning 29 distinct space groups.
What elements does MnF2 contain?
manganese(II) fluoride (MnF2) contains F and Mn (2 elements).
Where does the data for MnF2 come from?
MnF2 data is cross-referenced from materials_project, mpaloe.
Comparison

How It Compares

As a standalone representative of its chemical class, manganese(II) fluoride serves as a fundamental reference point for understanding the structural and electronic behavior of binary transition metal fluorides.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.

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