view article
Figure 4
The area intensities for the Lorentz functions A1 and A2 plotted as a function of Q2. The broken lines show the fit results using equation (2)[link]. For the fitting of A1 at temperatures from 280 to 330 K, the atomic displacement parameters of hydrogen along the transport direction (almost perpendicular to the OH bond) are set to be consistent with the neutron powder diffraction result (0.04 Å2 at 230 K, 0.05 Å2 at 280 K and 0.06 Å2 at 330 K; Chakoumakos et al., 2013BB3). The A2 profile at 430 K is reproducible only when d2 is much smaller than 3.14 Å, indicating that the process inducing this profile is a transport into the next layer. Therefore, the fitting of A2 at 430 K was made with a zero atomic displacement parameter for hydrogen, because its vibration along the transport direction (almost along the OH bond) is much more restricted.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 51| Part 6| December 2018| Pages 1564-1570
https://doi.org/10.1107/S1600576718013158
Follow J. Appl. Cryst.
Sign up for e-alerts
E-alerts
Follow J. Appl. Cryst. on Twitter
Twitter
Follow us on facebook
Facebook
Sign up for RSS feeds
RSS