Variation of hydrogen occupation in LaNi4.78Sn0.22Dx along the P-C isotherms studied by in situ neutron powder diffraction

Yumiko Nakamura, Robert C. Bowman, Etsuo Akiba

Research output: Contribution to journalArticle

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Abstract

We performed in situ neutron powder diffraction measurements of LaNi4.78Sn0.22Dx along the absorption and desorption pressure-composition (P-C) isotherms using 90° banks of a TOF diffractometer. Structure of the hydride phase for various hydrogen contents was analyzed by the Rietveld method. Variation of the hydrogen occupation and the lattice parameters for the hydride phase was investigated. The full hydride LaNi4.78Sn0.22D6.1 has a P6mm structure with four hydrogen sites; 3c sites (O[La2Ni4]), 6e1 sites (T[La2Ni2]), 6e2 sites (T[La1Ni3]) and 2b sites (T[Ni4]) with occupancies of 0.98(2), 0.34(1), 0.168(9) and 0.24(2), respectively. The 3c site was fully occupied regardless of the total hydrogen content. Occupancies of the other three sites changed depending on the hydrogen content, with hysteresis between absorption and desorption in the two-phase region. The hydrogen occupation and the lattice parameters for the hydride phase varied even in the two-phase region during desorption.

Original languageEnglish
Pages (from-to)148-154
Number of pages7
JournalJournal of Alloys and Compounds
Volume431
Issue number1-2
DOIs
Publication statusPublished - Apr 4 2007

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Neutron powder diffraction
Isotherms
Hydrogen
Hydrides
Chemical analysis
Desorption
Lattice constants
Rietveld method
Diffractometers
Hysteresis

All Science Journal Classification (ASJC) codes

  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

Cite this

Variation of hydrogen occupation in LaNi4.78Sn0.22Dx along the P-C isotherms studied by in situ neutron powder diffraction. / Nakamura, Yumiko; Bowman, Robert C.; Akiba, Etsuo.

In: Journal of Alloys and Compounds, Vol. 431, No. 1-2, 04.04.2007, p. 148-154.

Research output: Contribution to journalArticle

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abstract = "We performed in situ neutron powder diffraction measurements of LaNi4.78Sn0.22Dx along the absorption and desorption pressure-composition (P-C) isotherms using 90° banks of a TOF diffractometer. Structure of the hydride phase for various hydrogen contents was analyzed by the Rietveld method. Variation of the hydrogen occupation and the lattice parameters for the hydride phase was investigated. The full hydride LaNi4.78Sn0.22D6.1 has a P6mm structure with four hydrogen sites; 3c sites (O[La2Ni4]), 6e1 sites (T[La2Ni2]), 6e2 sites (T[La1Ni3]) and 2b sites (T[Ni4]) with occupancies of 0.98(2), 0.34(1), 0.168(9) and 0.24(2), respectively. The 3c site was fully occupied regardless of the total hydrogen content. Occupancies of the other three sites changed depending on the hydrogen content, with hysteresis between absorption and desorption in the two-phase region. The hydrogen occupation and the lattice parameters for the hydride phase varied even in the two-phase region during desorption.",
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AB - We performed in situ neutron powder diffraction measurements of LaNi4.78Sn0.22Dx along the absorption and desorption pressure-composition (P-C) isotherms using 90° banks of a TOF diffractometer. Structure of the hydride phase for various hydrogen contents was analyzed by the Rietveld method. Variation of the hydrogen occupation and the lattice parameters for the hydride phase was investigated. The full hydride LaNi4.78Sn0.22D6.1 has a P6mm structure with four hydrogen sites; 3c sites (O[La2Ni4]), 6e1 sites (T[La2Ni2]), 6e2 sites (T[La1Ni3]) and 2b sites (T[Ni4]) with occupancies of 0.98(2), 0.34(1), 0.168(9) and 0.24(2), respectively. The 3c site was fully occupied regardless of the total hydrogen content. Occupancies of the other three sites changed depending on the hydrogen content, with hysteresis between absorption and desorption in the two-phase region. The hydrogen occupation and the lattice parameters for the hydride phase varied even in the two-phase region during desorption.

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