Hydrogen storage capacity and crystal structure of hydrogen-free Zr3V3O0.6
and its saturated deuteride, Zr3V3OxD9.6, and have been studied using both
X-ray and neutron powder diffraction. Experimental data together with the g
eometrical analysis of the crystal structure of the deuteride indicate that
oxygen non-stoichiometry plays a significant role in the 2-fold increase o
f hydrogen storage capacity of Zr3V3O0.6 compared with the stoichiometric o
xygenated Zr3V3O. (C) 2000 Elsevier Science S.A. All rights reserved.