High-Pressure Polymorphism as a Step towards Destabilization of LiBH4

Authors


  • The authors are grateful to SNBL for the provision of in-house beam time and to P. Pattison for critical reading of the manuscript.

Abstract

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Performing under pressure: The BH4 group in the high-pressure modification of LiBH4 has an unprecedented square-planar coordination by four Li atoms (see picture). This structure exhibits a strikingly short H⋅⋅⋅H contact between adjacent BH4 anions and thus may show completely different hydrogen-storage properties if stabilized by chemical substitution at ambient pressure.

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