Perhalogenated Lithium Closo-Dodecaborates Crystal Structures and Conductivity Data

Li2B12Cl12 exhibits a high ionic conductivity of 0.12 S cm–1 at approximately 870 K. This dataset contains Crystallographic Information Files (CIF) for perhalogenated lithium closo-dodecaborate salts, published by Agnieszka Prus on figshare in June 2026. The data supports research into solid electrolytes for advanced battery systems.

Use Cases

• Modeling ion transport mechanisms based on crystal structures determined by X-ray diffraction.
• Benchmarking computational chemistry methods against experimental thermal analysis and spectroscopic data.
• Screening candidate solid electrolyte materials based on reported ionic conductivity values.
• Studying polymorphic phase transitions in inorganic salts based on reported transition temperatures.

Strengths

• Includes specific ionic conductivity values, such as 0.12 S cm–1 for Li2B12Cl12.
• Reports polymorphic transition temperatures, such as 859 K for Li2B12Cl12.
• Data is associated with a published research paper, providing methodological context.

Limitations

• Dataset size is only 33.1 KB, indicating very limited scope.
• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.

Provenance

Source

figshare

Collection Method

Data was generated through laboratory synthesis, X-ray diffraction, thermal analysis, FTIR and Raman spectroscopy, and DFT calculations.

Freshness

Last updated 2026-06-04 20:04:20; freshness should be verified.