Tl₂SiF₆ (thallium hexafluorosilicate) is an inorganic ceramic compound belonging to the fluoride salt family, characterized by strong ionic bonding between thallium cations and hexafluorosilicate anions. This material is primarily encountered in specialized research and industrial fluorine chemistry applications rather than mainstream engineering, where it serves as a precursor or intermediate in fluoride glass synthesis, optical material development, and fluorine compound manufacturing. Its notable properties include high density and significant stiffness, making it of interest for applications requiring dense ceramic phases or in studies of heavy-metal fluoride glasses for infrared optics, though its thallium content and associated toxicity limit deployment to controlled industrial and laboratory settings.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 26.77 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3900 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 6.520 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 6.048 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 5.040 | eV | DFT · OptB88vdW | ||
| ↳ | 6.110 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 10.29 | - | DFT · OptB88vdW | ||
| ↳ | 16.06 | - | DFT · PBE | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 2.878 | - | DFT · OptB88vdW | ||
| ↳ | 2.346 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.4500 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.270 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00224 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00216 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -201.7 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 373.7 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 0.000 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.736 | eV/atom | DFT · OptB88vdW |
Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data