Structural study of a new B-rich phase obtained by partial hydrogenation of 2NaH + MgB2
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.
PISTIDDA Claudio;
NAPOLITANO Emilio;
POTTMAIER Daphiny;
DORNHEIM Martin;
KLASSEN Thomas;
BARICCO Marcello;
ENZO Stefano;
2013-09-09
PERGAMON-ELSEVIER SCIENCE LTD
JRC83622
0360-3199,
http://www.sciencedirect.com/science/article/pii/S036031991301464X,
https://publications.jrc.ec.europa.eu/repository/handle/JRC83622,
10.1016/j.ijhydene.2013.06.025,
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