Hydride Phases Based on Ta0.33V0.67 Alloy with Partial Replacement of Its Components with Ti and Nb

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Abstract

Using of the X-ray diffraction, the reaction products of hydrogen with a volume-centered cubic modification of the alloy Ta0.33V0.67 with partial replacement of its components with titanium and niobium were studied. It was found that the hydrogenation reaction of such alloys results in the formation of hydride samples with varied phase composition and different lattice types. Varying the amount of titanium and niobium in the composition of the Ta0.33V0.67 alloy affects the transition of the crystal lattice from cubic body-centered to face-centered. Hydrogenation of the Ta0.33V0.67 alloy with partial replacement of the components with titanium and niobium leads to the formation of stable hydrides.

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S. A. Lushnikov

Lomonosov Moscow State University

Author for correspondence.
Email: Lushnikov@hydride.chem.msu.ru
Russian Federation, 1, Leninskie Gory, Moscow, 119991

T. V. Filippova

Lomonosov Moscow State University

Email: Lushnikov@hydride.chem.msu.ru
Russian Federation, 1, Leninskie Gory, Moscow, 119991

S. V. Mitrokhin

Lomonosov Moscow State University

Email: Lushnikov@hydride.chem.msu.ru
Russian Federation, 1, Leninskie Gory, Moscow, 119991

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Supplementary files

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2. Fig. 1. X-ray diffraction patterns of samples of alloys with OCC lattice: a - Ti0.17Ta0.16V0.67, b - Ti0.21Ta0.12V0.67, c - Ta0.33V0.40Ti0.27, d - Ta0.33V0.55Nb0.12, e - Ta0.33V0.47Nb0.20, f - Nb0.10Ta0.23V0.67, processed by the Rietveld method. The experimental (dots) and calculated (upper line) profiles and the difference between them (lower line) are shown. The dashes correspond to Bragg positions.

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3. Fig. 2. X-ray diffraction patterns of samples of hydride phases based on alloys with OCC lattice: a - Ti0.17Ta0.16V0.67 (1.4 N/M), b - Ti0.21Ta0.12V0.67 (1.8 N/M), c - Ta0.33V0.40Ti0.27 (1.6 N/M), d - Ta0.33V0.55Nb0.12 (0.8 N/M), e - Ta0.33V0.47Nb0.20 (0.5 N/M), f - Nb0.10Ta0.23V0.67 (0.5 N/M) treated by the Rietveld method. Experimental (dots) and calculated (upper line) profiles and the difference between them (lower line) are shown. The dashes correspond to Bragg positions. The asterisk marks the indices of the hydride phase with HCC lattice.

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4. Fig. 3. Interatomic distances (a, c) and lattice parameters (b, d) in synthesised hydride phases. a, b - samples with titanium; b, d - samples with niobium.

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5. Fig. 4. Transformation of the crystalline OCC lattice of the studied alloys as a result of the hydrogenation reaction. Structures of hydrides with OCC lattice (a), rhombic lattice (b) and HCC lattice (c). The tetrahedral positions 12d in the OCC lattice, 2a and 2b in the rhombic lattice and position 8c in the HCC lattice, which are occupied by hydrogen atoms, have been identified. The position parameters of hydrogen are borrowed from the literature [27, 28, 31].

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