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Neutron Powder Diffraction, x-ray absorption and Mössbauer spectroscopy on Mg2FeH6

AuthorsRetuerto, M.; Alonso, J. A. ; Martínez, R.; Jiménez-Villacorta, Félix ; Sánchez-Benítez, J. ; Fernández-Díaz, M. T.; García-Ramos, Crisanto A.; Ruskov, T.
Hydrogen storage
Metal hydrides
Powder Neutron Diffraction
Issue Date2015
CitationInternational Journal of Hydrogen Energy 40(30): 9306-9313 (2015)
AbstractWe have studied the crystallographic structure, the oxidation states and the electronic structure of the ternary metal hydride Mg2FeH6 prepared by high-pressure and high-temperature reaction from the simple hydrides. This procedure provides a well-crystallized sample essential to perform Neutron Powder Diffraction (NPD) experiments. By NPD we accessed to subtle crystallographic details of Mg2FeH6, such as the hydrogen occupancy and the metal-hydrogen distances and angles; a full hydrogen composition with six hydrogen atoms per unit formula is determined. No magnetic structure was observed by NPD at 2 K. The oxidation states of the atoms inside the material and the electronic structure of Mg2FeH6 have been evaluated by x-ray absorption near-edge spectroscopy (XANES). Unexpectedly, the Fe K-edge spectrum shows a zero oxidation state of Fe atoms in agreement with Mössbauer data. Our results suggest a metallic nature of the hydride in contrast with the ionic character previously reported for this compound.
Publisher version (URL)https://doi.org/10.1016/j.ijhydene.2015.05.079
Identifiersdoi: 10.1016/j.ijhydene.2015.05.079
issn: 0360-3199
Appears in Collections:(ICMM) Artículos
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