Abstract: We present the first report on the formation and the crystal structure of a bimetallic
borohydride borate, LiCa3(BH4)(BO3)(2). It is discovered during decomposition of LiBH4-Ca(BH4)(2)-carbon
composite studied for hydrogen storage. A small amount of oxygen impurity in the starting
material or introduced during sample preparation gives rise to the formation of [BO3](3-).
Its crystal structure was solved from synchrotron powder diffraction data as space
group Fd (3) over barm and a = 143911(2) angstrom at 387 degrees C. The experimental
structural parameters are closely reproduced and the orientational disorder in [BH4](-)
is confirmed by first-principles calculations.
|Type d'accès :
|Date de publication :
|Type de document :
||Article de périodique (Journal article) -
(Article de recherche)
||"Journal of Macromolecular Science: Part C - Reviews in Macromolecular Chemistry and
Physics" - Vol. 115, no. 20, p. 10298-10304 (2011)
||Taylor & Francis Inc.
|Etat de publication :