SbF3
Antimony trifluoride · Antimony(III) fluoride
Antimony trifluoride is a chemical compound that typically appears as a white crystalline solid. It is primarily utilized as a fluorinating agent in organic synthesis and as a mordant in the textile dyeing industry.
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Overview
Key Properties
Cross-validated computational properties for Antimony trifluoride, 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.
4.44 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.
89
3 databases, 20 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for SbF3, 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. |
|---|---|---|---|---|---|
| Ama2 (No. 40) | orthorhombic | 4.44 | 0.0000 | -5.153 | 4.74 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.61 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 4.11 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 7.59 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.57 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 5.30 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.75 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.68 |
| P2 (No. 3) | Monoclinic | — | — | — | 4.97 |
| P-1 (No. 2) | Triclinic | — | — | — | 8.13 |
| P1 (No. 1) | Triclinic | — | — | — | 5.21 |
| Cc (No. 9) | Monoclinic | — | — | — | 6.78 |
Uses
Applications
Where Antimony trifluoride is used.
Fluorinating agent in organic chemistryMordant in textile dyeingCeramic manufacturingPottery glazing
Reference
Frequently Asked Questions
Common questions about Antimony trifluoride, answered from cross-validated data.
What is SbF3?
Antimony trifluoride is a chemical compound that typically appears as a white crystalline solid. It is primarily utilized as a fluorinating agent in organic synthesis and as a mordant in the textile dyeing industry.
More questions
What is SbF3 used for?
Antimony trifluoride (SbF3) is used in fluorinating agent in organic chemistry, mordant in textile dyeing, ceramic manufacturing, and pottery glazing.
What is the band gap of SbF3?
Antimony trifluoride (SbF3) has a DFT-computed band gap of 4.44 eV across 89 reported structures.
Is SbF3 a metal, semiconductor, or insulator?
With a wide band gap up to 4.44 eV it is an insulator / wide-band-gap material.
Is SbF3 thermodynamically stable?
Yes — Antimony trifluoride (SbF3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of SbF3?
The lowest-energy reported polymorph of Antimony trifluoride (SbF3) is orthorhombic symmetry, space group Ama2 (No. 40).
What is the density of SbF3?
The computed density of the ground-state structure of Antimony trifluoride (SbF3) is 4.74 g/cm³.
How many polymorphs of SbF3 are known?
89 structures of SbF3 are reported across 3 databases, spanning 20 distinct space groups.
What elements does SbF3 contain?
Antimony trifluoride (SbF3) contains F and Sb (2 elements).
Where does the data for SbF3 come from?
SbF3 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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