Vacancies and Insertions in the RE10Ni9+xIn20 Series (RE = Ho-Tm, Lu)

TitleVacancies and Insertions in the RE10Ni9+xIn20 Series (RE = Ho-Tm, Lu)
Publication TypeJournal Article
Year of Publication2009
AuthorsThimmaiah S, Weber J, Miller GJ
Journal TitleZeitschrift Fur Anorganische Und Allgemeine Chemie
ISBN Number0044-2313
Accession NumberISI:000271575500016
Keywordscrystal-chemistry, heavy-fermion system, indides, intergrowth structure, intermetallic compounds, intermetallics, metallic phase, nickel, peculiarities, phase width, quasi-crystal, rare-earth compounds, tb, transition, x-ray diffraction

The intermetallic compounds RE10Ni9+xIn20 (RE = Ho-Tm, Lu) have been studied experimentally as well as theoretically. Lu10Ni9.8In19.2(1) crystallizes in the tetragonal Ho10Ni9In20-type structure [space group P4/nmm, a = 13.114(2) angstrom and c = 8.993(2) angstrom] with vacant 2b positions and mixed In/Ni occupancies at one indium site that creates the refined composition. Moreover, the atomic positions and the displacement parameters for the holmium, erbium, thulium, and lutetium phases, which are missing in previous Studies, are now refined. TB-LMTO-ASA electronic calculations indicates that Lu10Ni9.8In19.2(1) prefers the centrosymmetric Ho10Ni9In20-type rather than a noncenctrosymmetric defect-HfNiGa2-type structure (I4mm). According to Our theoretical investigations, the HfNiGa2-type structure is preferred when the 2b position is fully occupied; however, the Ho10Ni9In20-type structure is preferred when vacancies are present on 2b position.

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