ZrNiAl alloy was found to absorb hydrogen up to a composition of ZrNiAlH0.53 in the measurement of a pressure-composition isotherm at 313 K. The structure parameters of the alloy and its hydride (deuteride) were refined by the Rietveld method using X-ray and neutron diffraction data. Both the alloy and deuteride have the Fe2P-type structure (space group: P62m; a = 6.9152(6) A ̊ and c = 3.4703(4) A ̊ for the alloy; a = 6.7225(7) A ̊ and c = 3.7713(6) A ̊ for the deuteride). Hydrogenation leads to the lattice-contraction of the a axis by 2.8% and the lattice-expansion of the c axis by 8.7%. Neutron Rietveld refinement revealed that deuterium occupies a trigonal-bipyramidal site surrounded by three Zr and two Ni atoms.
All Science Journal Classification (ASJC) codes
- Mechanics of Materials
- Mechanical Engineering
- Metals and Alloys
- Materials Chemistry