ZnF2
Zinc fluoride · Zinc difluoride
Zinc fluoride is an inorganic compound that typically appears as a white crystalline solid. It is primarily utilized in chemical synthesis and as a protective agent for various materials.
FZn
Overview
Key Properties
Cross-validated computational properties for Zinc fluoride, 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.
3.46–3.56 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
157
3 databases, 22 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for ZnF2, 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. |
|---|---|---|---|---|---|
| P42/mnm (No. 136) | tetragonal | 3.46 | 0.0000 | -7.616 | 4.95 |
| Pbcn (No. 60) | orthorhombic | 3.56 | 0.0024 | -7.613 | 5.04 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.87 |
| P1 (No. 1) | Triclinic | — | — | — | 5.64 |
| P1 (No. 1) | Triclinic | — | — | — | 5.23 |
| P1 (No. 1) | Triclinic | — | — | — | 5.06 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.52 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.28 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.67 |
| Cm (No. 8) | Monoclinic | — | — | — | 8.03 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 5.16 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 6.05 |
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting ZnF2.
Sol-Gel
Procedure available · ceder_solid_state
Uses
Applications
Where Zinc fluoride is used.
Wood preservationElectroplatingPhosphor manufacturingChemical synthesis
Reference
Frequently Asked Questions
Common questions about Zinc fluoride, answered from cross-validated data.
What is ZnF2?
Zinc fluoride is an inorganic compound that typically appears as a white crystalline solid. It is primarily utilized in chemical synthesis and as a protective agent for various materials.
More questions
What is ZnF2 used for?
Zinc fluoride (ZnF2) is used in wood preservation, electroplating, phosphor manufacturing, and chemical synthesis.
What is the band gap of ZnF2?
Zinc fluoride (ZnF2) has a DFT-computed band gap of 3.46–3.56 eV across 157 reported structures.
Is ZnF2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.56 eV it is an insulator / wide-band-gap material.
Is ZnF2 thermodynamically stable?
Yes — Zinc fluoride (ZnF2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of ZnF2?
The lowest-energy reported polymorph of Zinc fluoride (ZnF2) is tetragonal symmetry, space group P42/mnm (No. 136).
What is the density of ZnF2?
The computed density of the ground-state structure of Zinc fluoride (ZnF2) is 4.95 g/cm³.
How many polymorphs of ZnF2 are known?
157 structures of ZnF2 are reported across 3 databases, spanning 22 distinct space groups.
How is ZnF2 synthesized?
Literature-reported routes for ZnF2 include sol-gel.
What elements does ZnF2 contain?
Zinc fluoride (ZnF2) contains F and Zn (2 elements).
Where does the data for ZnF2 come from?
ZnF2 data is cross-referenced from materials_project, mpaloe, jarvis.
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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