Na2TiF6
sodium hexafluorotitanate · sodium fluotitanate
Sodium hexafluorotitanate is an inorganic fluoride compound that serves as a source of titanium in various chemical processes. It is frequently utilized in surface treatment applications to improve the adhesion and corrosion resistance of metal substrates.
Key Properties
Cross-validated computational properties for sodium hexafluorotitanate, 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 Na2TiF6, 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. |
|---|---|---|---|---|---|
| P321 (No. 150) | trigonal | 4.18 | 0.0000 | -5.945 | 2.85 |
| P-3m1 (No. 164) | trigonal | 4.67 | 0.0424 | -5.902 | 2.96 |
| P-3m1 (No. 164) | — | — | — | — | — |
| P321 (No. 150) | — | — | — | — | — |
| P321 (No. 150) | Trigonal | — | — | — | 2.75 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 2.79 |
| P321 (No. 150) | Trigonal | — | — | — | 2.63 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 2.71 |
| P321 (No. 150) | Trigonal | — | — | — | 2.70 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 2.84 |
Applications
Where sodium hexafluorotitanate is used.
Frequently Asked Questions
Common questions about sodium hexafluorotitanate, answered from cross-validated data.
What is Na2TiF6?
Sodium hexafluorotitanate is an inorganic fluoride compound that serves as a source of titanium in various chemical processes. It is frequently utilized in surface treatment applications to improve the adhesion and corrosion resistance of metal substrates.
What is Na2TiF6 used for?
What is the band gap of Na2TiF6?
Is Na2TiF6 a metal, semiconductor, or insulator?
Is Na2TiF6 thermodynamically stable?
What is the crystal structure of Na2TiF6?
What is the density of Na2TiF6?
How many polymorphs of Na2TiF6 are known?
What elements does Na2TiF6 contain?
Where does the data for Na2TiF6 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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