Lattice location of hydrogen in β 1-V 2H (tetragonal)

Abstract

In order to investigate the lattice location of hydrogen and its density distribution in a β 1-V 2H crystal with a tetragonal structure, channelling experiment has been performed at room temperature utilizing a nuclear reaction 1H( 11B, α)αα with a 11B beam of about 2 MeV. It has been demonstrated that hydrogen occupies an O z site, and the density distribution of hydrogen is anisotropic; the HWHM of the density distribution is about 0.35 Å in the [1 0 0] direction, while it is less than 0.2 Å in the [0 0 1] direction on the assumption of the Gaussian distribution.