Na5Al3F14
chiolite · chiolite
Chiolite is a stable sodium aluminum fluoride mineral primarily utilized as a fluxing agent in metallurgical and industrial chemical processes.
About chiolite
Chiolite is a naturally occurring sodium aluminum fluoride mineral that exists as a thermodynamically stable phase. As a wide-band-gap insulator, it maintains structural integrity under various chemical conditions, making it a reliable inorganic material for specialized industrial applications.
Its significance lies in its unique stoichiometry, which allows it to function effectively in flux systems. By providing a stable crystalline framework, this compound facilitates chemical reactions in high-temperature environments where precise control over ionic mobility is required.
Key Properties
Cross-validated computational properties for chiolite, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Na5Al3F14. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Na5Al3F14, 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. |
|---|---|---|---|---|---|
| P4/mnc (No. 128) | tetragonal | 6.55 | 0.0000 | -5.544 | 3.10 |
| P4/mnc (No. 128) | tetragonal | 7.01 | 0.0008 | -3.438 | — |
| — | — | 8.01 | 0.0923 | -3.417 | — |
| P4/mnc (No. 128) | tetragonal | — | — | — | 3.01 |
| P4/mnc (No. 128) | tetragonal | — | — | — | 3.00 |
| P4/mnc (No. 128) | tetragonal | — | — | — | 3.01 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Na5Al3F14.
Applications
Where chiolite is used.
Frequently Asked Questions
Common questions about chiolite, answered from cross-validated data.
What is Na5Al3F14?
Chiolite is a stable sodium aluminum fluoride mineral primarily utilized as a fluxing agent in metallurgical and industrial chemical processes.
What is Na5Al3F14 used for?
What is the band gap of Na5Al3F14?
Is Na5Al3F14 a metal, semiconductor, or insulator?
Is Na5Al3F14 thermodynamically stable?
What is the crystal structure of Na5Al3F14?
What is the density of Na5Al3F14?
How many polymorphs of Na5Al3F14 are known?
How is Na5Al3F14 synthesized?
What elements does Na5Al3F14 contain?
Where does the data for Na5Al3F14 come from?
How It Compares
As a distinct sodium aluminum fluoride, chiolite serves as a critical reference point for understanding the phase stability and structural diversity within the aluminum-fluoride mineral family.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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