IrF6
Iridium hexafluoride · Iridium(VI) fluoride
Iridium hexafluoride is a highly reactive inorganic compound consisting of iridium and fluorine. It is primarily utilized as a powerful fluorinating agent in chemical synthesis and research laboratories.
Key Properties
Cross-validated computational properties for Iridium hexafluoride, 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.
Reported Structures
Lowest-energy structures reported for IrF6, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.77 | 0.0000 | -11.693 | 5.22 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.84 |
| Pm (No. 6) | Monoclinic | — | — | — | 6.43 |
| Pm (No. 6) | Monoclinic | — | — | — | 8.29 |
| Pnma (No. 62) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 6.62 |
| P1 (No. 1) | Triclinic | — | — | — | 5.85 |
| P1 (No. 1) | Triclinic | — | — | — | 8.41 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.67 |
| Cm (No. 8) | Monoclinic | — | — | — | 9.08 |
| P1 (No. 1) | Triclinic | — | — | — | 6.08 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.29 |
Applications
Where Iridium hexafluoride is used.
Frequently Asked Questions
Common questions about Iridium hexafluoride, answered from cross-validated data.
What is IrF6?
Iridium hexafluoride is a highly reactive inorganic compound consisting of iridium and fluorine. It is primarily utilized as a powerful fluorinating agent in chemical synthesis and research laboratories.
What is IrF6 used for?
What is the band gap of IrF6?
Is IrF6 a metal, semiconductor, or insulator?
Is IrF6 thermodynamically stable?
What is the crystal structure of IrF6?
What is the density of IrF6?
How many polymorphs of IrF6 are known?
What elements does IrF6 contain?
Where does the data for IrF6 come from?
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
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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