Structural study of La4MgNi19 hydride by In Situ X-ray and neutron powder diffraction

Jin Nakamura, Kenji Iwase, Hiroshi Hayakawa, Yumiko Nakamura, Etsuo Akiba

Research output: Contribution to journalArticle

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Abstract

In situ X-ray and neutron powder diffraction were carried out for the La4MgNi19 alloy sample, which was obtained by annealing under controlled Mg-vapor pressure and temperature. The sample contained five phases: Ce5Co19-type La4MgNi19, Pr5Co19-type La4MgNi19, Gd 2Co7-type La3MgNi14, Ce 2Ni7-type La3MgNi14, and CaCu 5-type LaNi5. Those mass fractions were 51%, 19%, 16%, 4%, and 10%, respectively. The crystal structures for the samples before and after hydrogenation were refined by the Rietveld method. The full hydride of the main phase La4VigNi19Dx had a rhombohedral structure (space group: R3̄m) with a = 0.53990(3) nm, c = 5.2458(3) nm. Lattice expansions λa/a and λc/c in hydrogénation were 7.3% and 8.8%, and volume expansion λV/V was 25.3%. The hydrogen content D/M obtained from the refinement was 0.91(5), and hydrogen was evenly located in both the MgZn2-type cell and the CaCu5-type cell.

Original languageEnglish
Pages (from-to)5853-5859
Number of pages7
JournalJournal of Physical Chemistry C
Volume113
Issue number14
DOIs
Publication statusPublished - Apr 9 2009

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Neutron powder diffraction
Hydrides
X ray powder diffraction
hydrides
Hydrogen
Rietveld method
neutrons
Vapor pressure
diffraction
Hydrogenation
x rays
expansion
Crystal structure
hydrogen
Annealing
cells
vapor pressure
hydrogenation
crystal structure
annealing

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

Cite this

Structural study of La4MgNi19 hydride by In Situ X-ray and neutron powder diffraction. / Nakamura, Jin; Iwase, Kenji; Hayakawa, Hiroshi; Nakamura, Yumiko; Akiba, Etsuo.

In: Journal of Physical Chemistry C, Vol. 113, No. 14, 09.04.2009, p. 5853-5859.

Research output: Contribution to journalArticle

Nakamura, J, Iwase, K, Hayakawa, H, Nakamura, Y & Akiba, E 2009, 'Structural study of La4MgNi19 hydride by In Situ X-ray and neutron powder diffraction', Journal of Physical Chemistry C, vol. 113, no. 14, pp. 5853-5859. https://doi.org/10.1021/jp809890e
Nakamura, Jin ; Iwase, Kenji ; Hayakawa, Hiroshi ; Nakamura, Yumiko ; Akiba, Etsuo. / Structural study of La4MgNi19 hydride by In Situ X-ray and neutron powder diffraction. In: Journal of Physical Chemistry C. 2009 ; Vol. 113, No. 14. pp. 5853-5859.
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