SnClF
Tin chlorofluoride is an inorganic compound containing tin, chlorine, and fluorine. It is primarily studied in specialized chemical research contexts for its structural properties and potential roles in material synthesis.
ClFSn
Overview
Key Properties
Cross-validated computational properties for SnClF, 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.
2.55–3.44 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.
13
3 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for SnClF, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 3.44 | 0.0000 | -13.088 | 4.15 |
| P4/nmm (No. 129) | tetragonal | 2.55 | 0.0403 | -13.048 | 4.75 |
| P4/nmm (No. 129) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| P-6m2 (No. 187) | — | — | — | — | — |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.33 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.22 |
| P2/c (No. 13) | Monoclinic | — | — | — | 2.70 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 6.83 |
| P4mm (No. 99) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| P2/c (No. 13) | Monoclinic | — | — | — | 4.41 |
Uses
Applications
Where SnClF is used.
Chemical researchMaterials science studies
Reference
Frequently Asked Questions
Common questions about SnClF, answered from cross-validated data.
What is SnClF?
Tin chlorofluoride is an inorganic compound containing tin, chlorine, and fluorine. It is primarily studied in specialized chemical research contexts for its structural properties and potential roles in material synthesis.
More questions
What is SnClF used for?
SnClF is used in chemical research and materials science studies.
What is the band gap of SnClF?
SnClF has a DFT-computed band gap of 2.55–3.44 eV across 13 reported structures.
Is SnClF a metal, semiconductor, or insulator?
With a wide band gap up to 3.44 eV it is an insulator / wide-band-gap material.
Is SnClF thermodynamically stable?
Yes — SnClF sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of SnClF?
The lowest-energy reported polymorph of SnClF is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of SnClF?
The computed density of the ground-state structure of SnClF is 4.15 g/cm³.
How many polymorphs of SnClF are known?
13 structures of SnClF are reported across 3 databases, spanning 6 distinct space groups.
What elements does SnClF contain?
SnClF contains Cl, F, and Sn (3 elements).
Where does the data for SnClF come from?
SnClF 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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