Crystal structures and bonding of hydrides and deuterides of Zintl phases MSi (M = Ca, Sr, Ba, Eu)
The Zintl phase CaSi is a potential light-weight hydrogen storage material. Its hydrides CaSiHx (0.9 < x < 1.3) show fascinating bonding properties. Hydrogen oxidizes the Zintl-anion and is located as a hydride-ion (H-) in interstitial sites of the crystal structure. Therefore the bonds in the Zintl-anion change from two-bonded Si atoms in one-dimensional chains [Si]∞1 to interconnected chains with two- and three-bonded Si atoms– the hydride is described as a Zintl-phase hydride. In order to better understand the chemical bonding in such Zintl phase hydrides we would like to investigate the presumably isotypic hydrides and deuterides of the Zintl phases MSi (M = Ca, Sr, Ba, Eu). Special care will be taken for the neutron absorption of Eu. In view of the use of CaSi as hydrogen storage material we would also like to investigate the reaction pathway of its hydrogenation (deuteration). In a previous experiment we got hints for an intermediate hydride (deuteride) phase, which might be of importance in view of the reversibility of the hydrogenation process. In situ neutron diffraction studies will be carried out in our sapphire single crystal gas pressure cell developed within LTP
Please note that you will need to login with your ILL credentials to download the data.
Download DataThe recommended format for citing this dataset in a research publication is in the following format:
Holger Kohlmann; Thomas C. Hansen; WENDEROTH Patrick and WIDENMEYER Marc. (2013). Crystal structures and bonding of hydrides and deuterides of Zintl phases MSi (M = Ca, Sr, Ba, Eu). Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-22-721
ILL has partnered with DataCite as the registration agency
for data persistent identifiers.