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The beryllides MBe13 (M = rare earths and actinides) crystallize in aNaZn13-type cubic structure, which can be categorized as a cage-structuredcompound. In this study, powder X-ray diffraction measurements have beenperformed on LaBe13, SmBe13, and UBe13 in the temperature range between 7 and300 K in order to investigate their crystallographic characteristicssystematically. They keep the NaZn13-type cubic structure down to the lowesttemperature. We estimated their Debye temperature to be 600 - 750 K fromanalyses of the temperature dependence of a lattice parameter, being in goodagreement with the values reported previously. Rietveld refinements on theobtained powder patterns revealed that the M atom in the 8a site is located inan almost ideal snub cube formed by 24 Be atoms in the 96i site, whose cagedstructure is unchanged even at the low temperatures. In addition, it is arguedfrom the temperature variation of an isotropic mean-square displacementparameter that the MBe13 compounds commonly have a low-energy phonon mode,which can be described by a model assuming an Einstein oscillation of the Matom with a characteristic temperature of ~ 160 K.

Low-Temperature X-ray Crystal Structure Analysis of the Cage-Structured Compounds MBe13 (M = La, Sm, and U)