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Scientific article
English

Crystal structure of the eta-Ti3ZrNi2O0.5 suboxide and its Ti3ZrNi2O0.5D5.7 deuteride

Published inMoscow University chemistry bulletin, vol. 48, no. 1, p. 187-193
Publication date2007
Abstract

The crystal structures of the parent h -Ti3ZrNi2O0.5 suboxide and its saturated deuteride Ti3ZrNi2O0.5D5.7 have been studied by X-ray and neutron diffraction. The partial Ti by Zr substitution leads to the substantial increase of the capacity and lattice parameter of the saturated deuterides (11.5133 Å for Ti4Fe2OD2.25 compared to 12.074 Å for Ti3ZrNi2O0.5D5.7). Contrary to Ti4Fe2OD2.25 and other investigated h-phase hydrides the Ti3ZrNi2O0.5D5.7 deuteride is characterized by partial ordering of D2 atoms, which leads to the disappearance of the short distances between D2 positions. This is a reason of the symmetry lowering from Fd 3m untill Fd3 space group.

Keywords
  • Titanium and zirconium compounds
  • Nickel compounds, Metal hydrides (deuterdies)
  • Crystal structure
  • Powder X-ray
  • Neutron diffraction.
Research group
Citation (ISO format)
ZAVALIY, I. et al. Crystal structure of the eta-Ti<sub>3</sub>ZrNi<sub>2</sub>O<sub>0.5</sub> suboxide and its Ti<sub>3</sub>ZrNi<sub>2</sub>O<sub>0.5</sub>D<sub>5.7</sub> deuteride. In: Moscow University chemistry bulletin, 2007, vol. 48, n° 1, p. 187–193.
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Article (Published version)
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Identifiers
  • PID : unige:40523
ISSN of the journal0027-1314
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