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Crystal structure of the eta-Ti3ZrNi2O0.5 suboxide and its Ti3ZrNi2O0.5D5.7 deuteride
|Published in||Moscow University Chemistry Bulletin. 2007, vol. 48, no. 1, p. 187-193|
|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.|
|ZAVALIY, I. et al. Crystal structure of the eta-Ti3ZrNi2O0.5 suboxide and its Ti3ZrNi2O0.5D5.7 deuteride. In: Moscow University Chemistry Bulletin, 2007, vol. 48, n° 1, p. 187-193. https://archive-ouverte.unige.ch/unige:40523|