Extending tetrahedral network similarity to carbon: A type-I carbon clathrate stabilized by boron.
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 40408484.
- Also identified by DOI 10.1126/sciadv.adv6867 and PMC identifier 12101512.
- Licence recorded as CC BY.
- The licence permits redistribution, so the abstract is shown in full and the full text is available from the publisher.
Abstract
Clathrates are guest/host framework compounds composed of polyhedral cages, yet despite their prevalence among tetrahedral network formers, clathrates with a carbon host lattice remain unrealized synthetic targets. Here, we report a type-I carbon-based framework-a ubiquitous clathrate structure type found throughout compounds containing tetrahedral building blocks. Following a boron-stabilization scheme based on first-principles predictions in the Ca-B-C system at high pressure, type-I Ca<sub>8</sub>B<i><sub>x</sub></i>C<sub>46-</sub><sub><i>x</i></sub> (<i>x</i> ≈ 9) was synthesized in the archetypal <i>Pm</i>[Formula: see text]<i>n</i> lattice with stability derived from substitutionally disordered boron atoms on hexagonal ring framework positions. The synthesized clathrate, which is recoverable to ambient conditions, expands topological network similarity across tetrahedral systems and opens possibilities for a broad family of diamond-like, carbon-based compounds with tunable properties based on the wide potential for guest/host-atom substitutions and framework versatility.