Li2MgZr2H4O4F12 is a mixed-metal fluoride ceramic compound combining lithium, magnesium, and zirconium with fluoride and oxide anions—a composition that places it in the family of complex ceramic oxyfluorides. This material is primarily of research interest for solid-state applications where the combination of light alkali metals (lithium) and the refractory properties of zirconium may offer advantages in ionic conductivity or thermal stability. While not yet a mainstream industrial material, oxyfluoride ceramics in this compositional space are explored for energy storage devices (solid electrolytes, battery components) and specialized refractory applications where fluoride incorporation can modify sintering behavior and chemical durability.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 42.12 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2500 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 23.95 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.210 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 1.458 | eV | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 11.20 | - | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 4.000 | µB | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.1489 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.538 | 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