Title: Structural study of a new B-rich phase obtained by partial hydrogenation of 2NaH + MgB2
Authors: PISTIDDA ClaudioNAPOLITANO EMILIOPOTTMAIER DaphinyDORNHEIM MartinKLASSEN ThomasBARICCO MarcelloENZO Stefano
Citation: INTERNATIONAL JOURNAL OF HYDROGEN ENERGY vol. 38 no. 25 p. 10479 - 10484
Publisher: PERGAMON-ELSEVIER SCIENCE LTD
Publication Year: 2013
JRC N°: JRC83622
ISSN: 0360-3199
URI: http://www.sciencedirect.com/science/article/pii/S036031991301464X
http://publications.jrc.ec.europa.eu/repository/handle/JRC83622
DOI: 10.1016/j.ijhydene.2013.06.025
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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