Rb2MnF6
Rubidium hexafluoromanganate
Rubidium hexafluoromanganate is a complex fluoride salt containing manganese in a high oxidation state. It is primarily utilized in specialized chemical synthesis and as a precursor for developing advanced luminescent materials.
FMnRb
Overview
Key Properties
Cross-validated computational properties for Rb2MnF6, 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.
3.23–3.30 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
10
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Rb2MnF6, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 3.23 | 0.0000 | -5.414 | 3.93 |
| Fm-3m (No. 225) | cubic | 3.30 | 0.0014 | -5.413 | 3.79 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.42 |
| P63mc (No. 186) | Hexagonal | — | — | — | 3.71 |
| P63mc (No. 186) | Hexagonal | — | — | — | 3.83 |
| P63mc (No. 186) | Hexagonal | — | — | — | 3.58 |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.66 |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.54 |
Uses
Applications
Where Rb2MnF6 is used.
Phosphor synthesisChemical researchMaterials science development
Reference
Frequently Asked Questions
Common questions about Rb2MnF6, answered from cross-validated data.
What is Rb2MnF6?
Rubidium hexafluoromanganate is a complex fluoride salt containing manganese in a high oxidation state. It is primarily utilized in specialized chemical synthesis and as a precursor for developing advanced luminescent materials.
More questions
What is Rb2MnF6 used for?
Rb2MnF6 is used in phosphor synthesis, chemical research, and materials science development.
What is the band gap of Rb2MnF6?
Rb2MnF6 has a DFT-computed band gap of 3.23–3.30 eV across 10 reported structures.
Is Rb2MnF6 a metal, semiconductor, or insulator?
With a wide band gap up to 3.30 eV it is an insulator / wide-band-gap material.
Is Rb2MnF6 thermodynamically stable?
Yes — Rb2MnF6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Rb2MnF6?
The lowest-energy reported polymorph of Rb2MnF6 is hexagonal symmetry, space group P63mc (No. 186).
What is the density of Rb2MnF6?
The computed density of the ground-state structure of Rb2MnF6 is 3.93 g/cm³.
How many polymorphs of Rb2MnF6 are known?
10 structures of Rb2MnF6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Rb2MnF6 contain?
Rb2MnF6 contains F, Mn, and Rb (3 elements).
Where does the data for Rb2MnF6 come from?
Rb2MnF6 data is cross-referenced from materials_project, jarvis, mpaloe.
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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