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Scientific article
English

Hydrogen-induced changes in crystal structure and magnetic properties of the Zr3MOx (M = Fe, Co) phases

Contributors

Zavaliy, I. Yu.; Denys, R. V.; Cerny, Radovan; Koval'chuck, I. V.; Wiesinger, G.; Hilscher, G.

Published in

Journal of alloys and compounds, vol. 386, no. 1-2, p. 26-34

Publication date

2005

Abstract

It is shown that the oxygen-stabilised compounds Zr3Fe(Co)Ox (x = 0–1.0) interact with hydrogen at ambient temperature and pressure forming saturated hydrides with filled Re3B type structure. The hydrogen storage capacity decreases with increasing oxygen content from 6.7 H/f.u. for Zr3Fe down to 5.35 H/f.u. for Zr3FeO1.0 and from 6.9 H/f.u. for Zr3Co down to 5.3 H/f.u. for Zr3CoO1.0. A small change of the unit cell volumes for the Zr3Fe(Co)Ox parent compounds and a substantial increase of these parameters for the corresponding saturated hydrides were observed with increasing oxygen content. The partial hydrogen-induced lattice expansion, ΔV/at. H, increases from 2.25 Å3 for Zr3FeH6.7 up to 3.38 Å3 for Zr3FeO1.0H5.35 and from 2.08 Å3 for Zr3CoH6.9 up to 3.25 Å3 for Zr3CoO1.0H5.3. Rietveld refinement using neutron powder diffraction data for Zr3FeO0.4D6.25 showed a distribution of deuterium atoms and a redistribution of oxygen atoms from octahedral to tetrahedral sites in a similar way as in Zr3NiOxDy. Both Mössbauer spectroscopy and magnetic susceptibility measurements of Fe-containing hydrides indicated weak hydrogen-induced magnetic ordering at low temperatures. The ordering temperatures of Zr3FeO0.2H6.52 and Zr3FeO0.6H6.25 are 105 and 140 K, respectively

Keywords

  • Hydrogen storage materials
  • Zr-based alloys
  • X-ray diffraction
  • Neutron diffraction
  • Magnetic properties

UNIGE affiliation entities

UNIGE research groups

Citation (ISO format)

ZAVALIY, I. Yu. et al. Hydrogen-induced changes in crystal structure and magnetic properties of the Zr3MOx (M = Fe, Co) phases. In: Journal of alloys and compounds, 2005, vol. 386, n° 1-2, p. 26–34. doi: 10.1016/j.jallcom.2004.05.064

Main files (1)

Article (Published version)

Identifiers

Additional URL for this publication

http://linkinghub.elsevier.com/retrieve/pii/S0925838804007807

Journal ISSN

0925-8388
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Technical informations

Creation

08/04/2014 14:52:00

First validation

08/04/2014 14:52:00

Update

14/03/2023 21:06:15

Status update

14/03/2023 21:06:14

Last indexation

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