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Diterbium hepta-nickel: a crystal structure redetermination.

Volodymyr Levytskyy1, Volodymyr Babizhetskyy1, Bohdan Kotur1

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This study redetermined the crystal structure of terbium-nickel (Tb2Ni7) using single-crystal X-ray diffraction, revealing a non-stoichiometric composition and detailed atomic arrangements.

Keywords:
crystal structure

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Area of Science:

  • Materials Science
  • Crystallography
  • Solid-State Chemistry

Background:

  • The crystal structure of Tb2Ni7 has been previously investigated using powder X-ray diffraction.
  • Discrepancies and a need for refined structural data necessitate a redetermination.

Purpose of the Study:

  • To redetermine the crystal structure of Tb2Ni7 using single-crystal X-ray diffraction.
  • To refine atomic coordinates and displacement parameters.
  • To clarify the non-stoichiometric nature of the compound.

Main Methods:

  • Single-crystal X-ray diffraction data collection.
  • Crystal structure solution and refinement.
  • Analysis of atomic coordinates and displacement parameters.

Main Results:

  • The crystal structure of Tb2Ni7 was refined, yielding precise atomic coordinates and anisotropic displacement parameters.
  • A partial occupation of a terbium site leads to the non-stoichiometric composition Tb1.962(4)Ni7.
  • The structure was confirmed to be of the Ce2Ni7 type, related to the CaCu5 structure type.

Conclusions:

  • The redetermined crystal structure provides a more accurate description of Tb2Ni7.
  • The findings highlight the importance of single-crystal diffraction for precise structural analysis.
  • The study contributes to the understanding of intermetallic compounds and their structural variations.