@misc{pistidda_structural_study_2013, author={Pistidda, C.,Napolitano, E.,Pottmaier, D.,Dornheim, M.,Klassen, T.,Baricco, M.,Enzo, S.}, title={Structural study of a new B-rich phase obtained by partial hydrogenation of 2NaH + MgB2}, year={2013}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.ijhydene.2013.06.025}, abstract = {The structure of an unknown crystalline phase observed during the hydrogen absorption reaction of the powder mixtures 2NaH + MgB2 at high pressure has been studied by ab-initio 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 = 7.319 Å. 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 B–B interatomic distances.}, note = {Online available at: \url{https://doi.org/10.1016/j.ijhydene.2013.06.025} (DOI). Pistidda, C.; Napolitano, E.; Pottmaier, D.; Dornheim, M.; Klassen, T.; Baricco, M.; Enzo, S.: Structural study of a new B-rich phase obtained by partial hydrogenation of 2NaH + MgB2. International Journal of Hydrogen Energy. 2013. vol. 38, no. 25, 10479-10484. DOI: 10.1016/j.ijhydene.2013.06.025}}