TeF4
tellurium tetrafluoride
TeF4 is a stable, insulating binary fluoride compound primarily utilized as a reagent for chemical fluorination.
About tellurium tetrafluoride
Tellurium tetrafluoride is a binary fluoride characterized by its insulating electronic nature and high thermodynamic stability. As a member of the tellurium-fluorine system, it exists in a well-defined structural state that has been extensively documented across multiple materials databases.
Its chemical behavior is defined by its role as a reactive fluoride source, making it a valuable reagent in synthetic inorganic chemistry. The compound maintains structural integrity under standard conditions, serving as a reliable precursor for various fluorination processes in laboratory settings.
Key Properties
Cross-validated computational properties for tellurium tetrafluoride, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of TeF4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for TeF4, 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. |
|---|---|---|---|---|---|
| — | — | 4.38 | 0.0000 | -2.366 | — |
| P212121 (No. 19) | orthorhombic | 4.13 | 0.0000 | -2.165 | — |
| P212121 (No. 19) | orthorhombic | 4.02 | 0.0000 | -4.627 | 4.45 |
| — | — | 3.55 | 0.0699 | -2.296 | — |
| — | — | 1.16 | 0.1466 | -2.219 | — |
| — | — | 3.38 | 0.2070 | -2.159 | — |
| — | — | 1.01 | 0.2407 | -2.125 | — |
| — | — | 1.18 | 0.2409 | -2.125 | — |
| Cm (No. 8) | monoclinic | — | — | — | 4.90 |
| Cmm2 (No. 35) | orthorhombic | — | — | — | 3.47 |
| P212121 (No. 19) | orthorhombic | — | — | — | 4.21 |
| Cm (No. 8) | monoclinic | — | — | — | 4.48 |
Applications
Where tellurium tetrafluoride is used.
Frequently Asked Questions
Common questions about tellurium tetrafluoride, answered from cross-validated data.
What is TeF4?
TeF4 is a stable, insulating binary fluoride compound primarily utilized as a reagent for chemical fluorination.
What is TeF4 used for?
What is the band gap of TeF4?
Is TeF4 a metal, semiconductor, or insulator?
Is TeF4 thermodynamically stable?
What is the crystal structure of TeF4?
How many polymorphs of TeF4 are known?
What elements does TeF4 contain?
Where does the data for TeF4 come from?
How It Compares
As a distinct binary halide, tellurium tetrafluoride occupies a specialized niche in inorganic chemistry, serving as a primary fluorinating agent that bridges the gap between elemental tellurium and more complex fluorinated derivatives.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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