%0 Artikel %@ 0360-3199 %A Napolitano, E. %A Dolci, F. %A Campesi, R. %A Pistidda, C. %A Hoelzel, M. %A Moretto, P. %A Enzo, S. %D 2014 %J International Journal of Hydrogen Energy %N 1170 %P 868 - 876 %R doi:10.1016/j.ijhydene.2013.10.131 %T Crystal structure solution of KMg(ND)(ND2): An ordered mixed amide/imide compound %U http://dx.doi.org/10.1016/j.ijhydene.2013.10.131 2 %X An ordered mixed deuterated amide/imide potassium–magnesium compound was synthesized with the intent of solving its structure using neutron diffraction technique with help of “ab-initio” methods. Obtained powder diffraction patterns were compatible with the orthorhombic P212121 space group, and lattice parameters a = 9.8896(3) Å; b = 9.3496(3) Å; c = 3.6630(1) Å, respectively. Assuming a density of 1.91 g/cm3 the investigation has allowed to locate the four constituting elements distributed in seven different sites into Wyckoff general positions 4(a), for a total of 28 atoms in the unit cell. This is the first example of crystal structure solution of a mixed imide/amide compound appearing during the dehydrogenation process of a potassium containing amide based hydrogen storage material.