Perhalogenated Lithium Closo-Dodecaborate Salts Crystal Structures

Crystallographic Information Files (CIF) for four perhalogenated lithium closo-dodecaborate salts. The dataset includes structures determined by X-ray diffraction over a wide temperature range for Li2B12X12 (X = F, Cl, Br, I). Author Agnieszka Prus published the data on figshare in June 2026.

Use Cases

• Analyze crystal structure phase behavior based on the described polymorphic transformations.
• Model ionic conductivity trends based on the reported high-temperature conductivity values.
• Validate computational chemistry models using the provided experimental X-ray diffraction data.
• Investigate anion reorientational dynamics based on the described structural disorder.

Strengths

• Includes specific ionic conductivity values, such as 0.12 S cm–1 for Li2B12Cl12.
• Reports precise polymorphic transition temperatures, such as 859 K for Li2B12Cl12.
• Data is accompanied by multi-technique characterization including thermal analysis, FTIR, and Raman spectroscopy.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Dataset size is 21.8 KB, indicating a very limited scope.

Provenance

Source

figshare

Collection Method

Compounds were isolated in anhydrous form and their structures determined by X-ray diffraction.

Freshness

Last updated 2026-06-04 20:04:16; freshness should be verified.