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|Title:||Structural study of a new B-rich phase obtained by partial hydrogenation of 2NaH + MgB2|
|Authors:||PISTIDDA Claudio; NAPOLITANO EMILIO; POTTMAIER Daphiny; DORNHEIM Martin; KLASSEN Thomas; BARICCO Marcello; ENZO Stefano|
|Citation:||INTERNATIONAL JOURNAL OF HYDROGEN ENERGY vol. 38 no. 25 p. 10479 - 10484|
|Publisher:||PERGAMON-ELSEVIER SCIENCE LTD|
|Type:||Articles in periodicals and books|
|Abstract:||The structure of an unknown crystalline phase observed during the hydrogen absorption reaction of the powder mixtures 2NaH þ MgB2 at high pressure has been studied by abinitio structure determination from powder diffraction. The sequence of un-overlapped peaks extracted from the X-ray powder diffraction pattern could be indexed with a primitive cubic cell with lattice parameter a ¼ 7.319 A°. The diffraction patterns of the peaks are matched with the Pa-3 space group. The stoichiometry of the hydrogen absorption reaction suggests the presence of a high-boron content phase in the compound under investigation. Assuming this phase to be composed only by boron atoms and therefore having a density similar to that found for boron polymorphs, the solution with a space group of Pa-3 leads to reasonable BeB interatomic distances.|
|JRC Directorate:||Energy, Transport and Climate|
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