SbOF3
Antimony oxifluoride is a chemical compound containing antimony, oxygen, and fluorine. It is primarily utilized as a specialized reagent in chemical synthesis and research applications involving fluorination processes.
FOSb
Overview
Key Properties
Cross-validated computational properties for SbOF3, 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.
1.37–2.68 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.
0.009 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
20
3 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for SbOF3, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 2.65 | 0.0090 | -5.297 | 3.54 |
| P-421m (No. 113) | tetragonal | 1.92 | 0.0397 | -5.266 | 3.95 |
| Immm (No. 71) | orthorhombic | 1.45 | 0.0468 | -5.259 | 4.55 |
| P21/c (No. 14) | monoclinic | 2.68 | 0.0835 | -5.222 | 3.53 |
| Ia-3 (No. 206) | cubic | 1.37 | 0.3363 | -4.296 | 4.45 |
| P-421m (No. 113) | Tetragonal | — | — | — | 3.95 |
| P-1 (No. 2) | — | — | — | — | — |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.78 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.65 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.62 |
| Immm (No. 71) | Orthorhombic | — | — | — | 4.55 |
| P42/mnm (No. 136) | — | — | — | — | — |
Uses
Applications
Where SbOF3 is used.
Chemical synthesisFluorinating agentMaterials science research
Reference
Frequently Asked Questions
Common questions about SbOF3, answered from cross-validated data.
What is SbOF3?
Antimony oxifluoride is a chemical compound containing antimony, oxygen, and fluorine. It is primarily utilized as a specialized reagent in chemical synthesis and research applications involving fluorination processes.
More questions
What is SbOF3 used for?
SbOF3 is used in chemical synthesis, fluorinating agent, and materials science research.
What is the band gap of SbOF3?
SbOF3 has a DFT-computed band gap of 1.37–2.68 eV across 20 reported structures.
Is SbOF3 a metal, semiconductor, or insulator?
With a band gap up to 2.68 eV it is a semiconductor.
Is SbOF3 thermodynamically stable?
SbOF3 has a lowest energy above hull of 0.009 eV/atom (near hull (likely stable)).
What is the crystal structure of SbOF3?
The lowest-energy reported polymorph of SbOF3 is triclinic symmetry, space group P-1 (No. 2).
What is the density of SbOF3?
The computed density of the ground-state structure of SbOF3 is 3.54 g/cm³.
How many polymorphs of SbOF3 are known?
20 structures of SbOF3 are reported across 3 databases, spanning 6 distinct space groups.
What elements does SbOF3 contain?
SbOF3 contains F, O, and Sb (3 elements).
Where does the data for SbOF3 come from?
SbOF3 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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