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Crystal structure solution of KMg(ND)(ND2): An ordered mixed amide/imide compound |
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| Authors: | Emilio Napolitano Francesco Dolci Renato Campesi Claudio Pistidda Markus Hoelzel Pietro Moretto Stefano Enzo |
| Affiliation: | 1. European Commission – DG Joint Research Centre, Institute for Energy and Transport, Westerduinweg 3, NL-1755 Petten, The Netherlands;2. Institute of Materials Research, Materials Technology, Helmholtz-Zentrum Geesthacht, Max-Planck-Straße 1, D-21502 Geesthacht, Germany;3. Forschungs Neutronenquelle Heinz Maier-Leibnitz (FRM II), Technische Universität München, Lichtenbergstrasse 1, D-85747 Garching, Germany;4. Dipartimento di Chimica e Farmacia, Università degli Studi di Sassari and INSTM, Via Vienna 2, I-07100 Sassari, Italy |
| Abstract: | 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. |
| Keywords: | Hydrogen storage Hydrogen Solid state Crystal structure solution Ab-initio methods Powder diffraction |
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