SnF4
Tin(IV) fluoride · Stannic fluoride
Tin(IV) fluoride is an inorganic compound that appears as a white solid. It is primarily utilized as a fluorinating agent in chemical synthesis and as a precursor for the preparation of other tin-containing materials.
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Overview
Key Properties
Cross-validated computational properties for Tin(IV) 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.
2.15–3.11 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.
52
3 databases, 14 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for SnF4, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 3.11 | 0.0000 | -10.022 | 5.00 |
| C2/c (No. 15) | monoclinic | 2.47 | 0.1314 | -9.890 | 4.73 |
| C2/c (No. 15) | monoclinic | 2.15 | 0.1352 | -9.886 | 4.73 |
| P1 (No. 1) | Triclinic | — | — | — | 4.66 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.53 |
| P1 (No. 1) | Triclinic | — | — | — | 4.41 |
| Pm (No. 6) | Monoclinic | — | — | — | 3.89 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.73 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.82 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.40 |
| Pm (No. 6) | Monoclinic | — | — | — | 4.25 |
| C2/c (No. 15) | Monoclinic | — | — | — | 5.09 |
Uses
Applications
Where Tin(IV) fluoride is used.
Fluorinating agentChemical synthesisPrecursor for materials science
Reference
Frequently Asked Questions
Common questions about Tin(IV) fluoride, answered from cross-validated data.
What is SnF4?
Tin(IV) fluoride is an inorganic compound that appears as a white solid. It is primarily utilized as a fluorinating agent in chemical synthesis and as a precursor for the preparation of other tin-containing materials.
More questions
What is SnF4 used for?
Tin(IV) fluoride (SnF4) is used in fluorinating agent, chemical synthesis, and precursor for materials science.
What is the band gap of SnF4?
Tin(IV) fluoride (SnF4) has a DFT-computed band gap of 2.15–3.11 eV across 52 reported structures.
Is SnF4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.11 eV it is an insulator / wide-band-gap material.
Is SnF4 thermodynamically stable?
Yes — Tin(IV) fluoride (SnF4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of SnF4?
The lowest-energy reported polymorph of Tin(IV) fluoride (SnF4) is tetragonal symmetry, space group I4/mmm (No. 139).
What is the density of SnF4?
The computed density of the ground-state structure of Tin(IV) fluoride (SnF4) is 5.00 g/cm³.
How many polymorphs of SnF4 are known?
52 structures of SnF4 are reported across 3 databases, spanning 14 distinct space groups.
What elements does SnF4 contain?
Tin(IV) fluoride (SnF4) contains F and Sn (2 elements).
Where does the data for SnF4 come from?
SnF4 data is cross-referenced from materials_project, mpaloe.
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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