Single Crystal X-Ray Diffraction Investigation of Hydrogen-rich MgxTiyHz Compounds

Our objective is to explore and synthesize Mg–Ti–H superhydrides exhibiting outstanding gravimetric hydrogen storage capacities. By use of Crystal Structure Prediction, eight compounds have been predicted to form in the pressure range 0 - 50 GPa for the Mg-Ti-H system. The proposed investigation aims to experimentally validate the predicted MgxTiyHz phases. To this end, we will resolve the crystal structure and phase transformations of all crystalline solids observed in laser-heated Mg-Ti-H mixtures between 0 GPa and 50 GPa by using the submicron and high intensity X-ray beam of the ID15B to perform single crystal X-ray diffraction on the resulting polycrystalline Mg-Ti-H samples.