Sn2OF2
Tin(II) oxyfluoride is an inorganic compound that combines tin, oxygen, and fluorine. It is primarily studied for its structural properties and potential utility in materials science research.
Overview
Key Properties
Cross-validated computational properties for Sn2OF2, 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.
2.25–2.67 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 Sn2OF2, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 2.67 | 0.0000 | -5.564 | 5.22 |
| P42/nmc (No. 137) | tetragonal | 2.25 | 0.0450 | -5.519 | 5.30 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.86 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.13 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.01 |
| P42/nmc (No. 137) | Tetragonal | — | — | — | 5.30 |
| P42/nmc (No. 137) | Tetragonal | — | — | — | 5.60 |
| P42/nmc (No. 137) | Tetragonal | — | — | — | 5.49 |
| P42/nmc (No. 137) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Uses
Applications
Where Sn2OF2 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Sn2OF2, answered from cross-validated data.
What is Sn2OF2?
Tin(II) oxyfluoride is an inorganic compound that combines tin, oxygen, and fluorine. It is primarily studied for its structural properties and potential utility in materials science research.
More questions
What is Sn2OF2 used for?
Sn2OF2 is used in materials science research and solid-state chemistry studies.
What is the band gap of Sn2OF2?
Sn2OF2 has a DFT-computed band gap of 2.25–2.67 eV across 10 reported structures.
Is Sn2OF2 a metal, semiconductor, or insulator?
With a band gap up to 2.67 eV it is a semiconductor.
Is Sn2OF2 thermodynamically stable?
Yes — Sn2OF2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Sn2OF2?
The lowest-energy reported polymorph of Sn2OF2 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of Sn2OF2?
The computed density of the ground-state structure of Sn2OF2 is 5.22 g/cm³.
How many polymorphs of Sn2OF2 are known?
10 structures of Sn2OF2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Sn2OF2 contain?
Sn2OF2 contains F, O, and Sn (3 elements).
Where does the data for Sn2OF2 come from?
Sn2OF2 data is cross-referenced from materials_project, mpaloe, jarvis.
Explore
Related Compounds
Other Transparent Conducting Oxides in the database.
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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