• Home
  1. Home
  2. Role of the Li<sup>+</sup> node in the Li-BH <sub>4</sub> substructure of double-cation tetrahydroborates
Scientific article
OA Policy
English

Role of the Li+ node in the Li-BH 4 substructure of double-cation tetrahydroborates

Contributors

Schouwink, Pascal; Smrčok, Ľubomír; Cerny, Radovan

Published in

Acta crystallographica. Section B, Structural science, vol. 70, no. 5, p. 871-878

Publication date

2014

Abstract

The phase diagram LiBH4-ABH4 (A = Rb,Cs) has been screened and revealed ten new compounds LiiAj(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.

UNIGE affiliation entities

UNIGE research groups

Citation (ISO format)

SCHOUWINK, Pascal, SMRČOK, Ľubomír, CERNY, Radovan. Role of the Li+ node in the Li-BH 4 substructure of double-cation tetrahydroborates. In: Acta crystallographica. Section B, Structural science, 2014, vol. 70, n° 5, p. 871–878. doi: 10.1107/S2052520614017351

Main files (1)

Article (Published version)

Identifiers

Additional URL for this publication

http://scripts.iucr.org/cgi-bin/paper?S2052520614017351

Journal ISSN

0108-7681
830views
740downloads

Technical informations

Creation

28/10/2014 16:12:00

First validation

28/10/2014 16:12:00

Update

14/03/2023 22:10:57

Status update

14/03/2023 22:10:57

Last indexation

30/10/2024 20:30:45
All rights reserved by Archive ouverte UNIGE and the University of Geneva
OpenAIRE Indexed & Validated