SbCl5
Antimony pentachloride · Antimony(V) chloride
Antimony pentachloride is a colorless to yellowish oily liquid that acts as a strong Lewis acid. It is primarily utilized as a chlorinating agent and as a catalyst in various chemical synthesis processes.
ClSb
Overview
Key Properties
Cross-validated computational properties for Antimony pentachloride, 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.
1.54–1.84 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.
21
3 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for SbCl5, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.54 | 0.0000 | -10.144 | 2.81 |
| P63/mmc (No. 194) | hexagonal | 1.84 | 0.0138 | -10.131 | 2.50 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.93 |
| P63/mmc (No. 194) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 3.31 |
| P1 (No. 1) | Triclinic | — | — | — | 3.87 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.22 |
| Immm (No. 71) | Orthorhombic | — | — | — | 3.04 |
| Immm (No. 71) | Orthorhombic | — | — | — | 2.99 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.33 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.93 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.80 |
Uses
Applications
Where Antimony pentachloride is used.
Chemical synthesis catalystChlorinating agentPolymerization initiatorDoping agent for conductive polymers
Reference
Frequently Asked Questions
Common questions about Antimony pentachloride, answered from cross-validated data.
What is SbCl5?
Antimony pentachloride is a colorless to yellowish oily liquid that acts as a strong Lewis acid. It is primarily utilized as a chlorinating agent and as a catalyst in various chemical synthesis processes.
More questions
What is SbCl5 used for?
Antimony pentachloride (SbCl5) is used in chemical synthesis catalyst, chlorinating agent, polymerization initiator, and doping agent for conductive polymers.
What is the band gap of SbCl5?
Antimony pentachloride (SbCl5) has a DFT-computed band gap of 1.54–1.84 eV across 21 reported structures.
Is SbCl5 a metal, semiconductor, or insulator?
With a band gap up to 1.84 eV it is a semiconductor.
Is SbCl5 thermodynamically stable?
Yes — Antimony pentachloride (SbCl5) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of SbCl5?
The lowest-energy reported polymorph of Antimony pentachloride (SbCl5) is monoclinic symmetry, space group P21/c (No. 14).
What is the density of SbCl5?
The computed density of the ground-state structure of Antimony pentachloride (SbCl5) is 2.81 g/cm³.
How many polymorphs of SbCl5 are known?
21 structures of SbCl5 are reported across 3 databases, spanning 7 distinct space groups.
What elements does SbCl5 contain?
Antimony pentachloride (SbCl5) contains Cl and Sb (2 elements).
Where does the data for SbCl5 come from?
SbCl5 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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