Abstract
The structures of the Ti 3SbH x (D x ) and Ti 2SbH 0.5(D 0.5) hydrides and the vibrational spectra of H(D) atoms in these compounds have been studied by neutron diffraction and inelastic neutron scattering (INS). The analysis of the neutron diffraction data for Ti 3SbD 2.6 shows that D atoms occupy the tetrahedral interstitial 6 d (Ti 4) and 24 k (Ti 3Sb) sites of the A15-type host-metal lattice (space group P m 3 ¯ n ). H(D) atoms in Ti 2SbH 0.5 and Ti 2SbD 0.5 are found to occupy the octahedral interstitial 2 b (Ti 6) sites of the tetragonal host lattice (space group I4/ mmm). The INS spectra for Ti 3SbH x ( x = 0.78 and 2.5) in the energy transfer range 50–200 meV are dominated by two peaks centered at 138 meV and 171 meV; these peaks can be attributed to vibrations of H atoms at 6 d sites. The INS spectra for Ti 2SbH 0.5 and Ti 2SbD 0.5 are consistent with strongly anisotropic vibrations of H(D) atoms in the octahedral 2 b sites.
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