High-temperature neutron powder diffraction study of cerium dioxide CeO2 up to 1770 K

Crystal structure and the structural disorder of ceria from 40 to 1497 °C

“…The refined crystallographic parameters and the reliability factors in the Rietveld analyses based on the split-atom model are shown in Table 1. The present unit-cell parameters agreed well with those in the literature [9]. The unit-cell parameter increased with an increase of temperature as shown in Fig.…”

“…At higher temperatures the B(O) was larger than the B(Ce), suggesting a larger diffusion coefficient of oxide ions. These features are consistent with the results of the previous Rietveld analysis using the simple fluorite-type structural model [7,9].…”

“…Here we report the details of crystallographic information and structural disorder of oxide ions in the CeO 2 at different temperatures. In the previous work, we refined the crystal structure of CeO 2 at different temperatures using a simple fluorite-type structured model [9]. In the present work, we have reanalyzed the structure with a split-atom model leading to a better fit, because the oxide ions have an anisotropic thermal motion as described below.…”

Silicate-free growth of high-quality ultrathin cerium oxide films on Si(111)

“…36 Perfect agreement with the experimental value of 0.70 can be obtained by taking into account modified Ce sites, yielding a disordered fraction of about U = 0.1, only weakly depending on the exact value of…”

BiFeO3Crystal Structure at Low Temperatures

“…However, the neutron absorption of the polycrystalline BiFeO 3 sample and of the vanadium container was estimated to be only µR = 0.017, which is insufficient to explain the negative atomic displacement factors for Bi and Fe ions at temperatures below 150 K. For comparison, a calibration data with a reference CeO 2 sample was obtained in the same experimental setup and refined assuming the crystal structure given in Ref. [35]. The refined atomic displacement parameters (ADPs) for …”