Published in

Elsevier, International Journal of Hydrogen Energy, 30(40), p. 9306-9313, 2015

DOI: 10.1016/j.ijhydene.2015.05.079

Links

Tools

Export citation

Search in Google Scholar

Neutron Powder Diffraction, x-ray absorption and Mössbauer spectroscopy on Mg 2 FeH 6

This paper is available in a repository.
This paper is available in a repository.

Full text: Download

Green circle
Preprint: archiving allowed
Orange circle
Postprint: archiving restricted
Red circle
Published version: archiving forbidden
Data provided by SHERPA/RoMEO

Abstract

We have studied the crystallographic structure, the oxidation states and the electronic structure of the ternary metal hydride Mg 2 FeH 6 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 Mg 2 FeH 6 , 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 Mg 2 FeH 6 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 M€ ossbauer data. Our results suggest a metallic nature of the hydride in contrast with the ionic character previously reported for this compound.