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- Title
Role of the Li<sup>+</sup> node in the Li-BH<sub>4</sub> substructure of double-cation tetrahydroborates.
- Authors
Schouwink, Pascal; Smrčok, Ľubomír; Černý, Radovan
- Abstract
The phase diagram LiBH4- ABH4 ( A = Rb,Cs) has been screened and revealed ten new compounds Li iAj(BH4) i+ j ( A = Rb, Cs), with i, j ranging between 1 and 3, representing eight new structure types amongst homoleptic borohydrides. An approach based on synchrotron X-ray powder diffraction to solve crystal structures and solid-state first principles calculations to refine atomic positions allows characterizing multi-phase ball-milled samples. The Li-BH4 substructure adopts various topologies as a function of the compound's Li content, ranging from one-dimensional isolated chains to three-dimensional networks. It is revealed that the Li+ ion has potential as a surprisingly versatile cation participating in framework building with the tetrahydroborate anion BH4 as a linker, if the framework is stabilized by large electropositive counter-cations. This utility can be of interest when designing novel hydridic frameworks based on alkaline metals and will be of use when exploring the structural and coordination chemistry of light-metal systems otherwise subject to eutectic melting.
- Subjects
PHASE diagrams; BOROHYDRIDE; X-ray powder diffraction; LIGHT metals; EUTECTICS; TETRAHYDROBORATES
- Publication
Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2014, Vol 70, Issue 5, p871
- ISSN
2052-5192
- Publication type
Article
- DOI
10.1107/S2052520614017351