TcF4
Technetium tetrafluoride is a thermodynamically stable semiconducting compound formed from technetium and fluorine.
About TcF4
Technetium tetrafluoride is a binary inorganic compound composed of technetium and fluorine. As a semiconducting material that resides on the thermodynamic convex hull, it exhibits notable structural stability, making it a significant subject for researchers studying the chemistry of transition metal halides.
Its existence across multiple reported structures highlights the complexity of its crystalline arrangements. This compound serves as a key reference point for understanding the electronic and structural behavior of technetium-based fluorides in various chemical environments.
Key Properties
Cross-validated computational properties for TcF4, aggregated across 2 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.
Reported Structures
Lowest-energy structures reported for TcF4, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 1.31 | 0.0000 | -9.963 | 4.10 |
| Immm (No. 71) | Orthorhombic | — | — | — | 5.90 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.93 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.58 |
| Fmm2 (No. 42) | Orthorhombic | — | — | — | 4.73 |
| P1 (No. 1) | Triclinic | — | — | — | 3.85 |
| Fmm2 (No. 42) | Orthorhombic | — | — | — | 4.45 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.40 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.56 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.21 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.80 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.77 |
Applications
Where TcF4 is used.
Frequently Asked Questions
Common questions about TcF4, answered from cross-validated data.
What is TcF4?
Technetium tetrafluoride is a thermodynamically stable semiconducting compound formed from technetium and fluorine.
What is TcF4 used for?
What is the band gap of TcF4?
Is TcF4 a metal, semiconductor, or insulator?
Is TcF4 thermodynamically stable?
What is the crystal structure of TcF4?
What is the density of TcF4?
How many polymorphs of TcF4 are known?
What elements does TcF4 contain?
Where does the data for TcF4 come from?
How It Compares
As a member of the transition metal fluoride family, this compound represents a stable, semiconducting phase that provides foundational insight into the behavior of technetium within halogenated lattices.
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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