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Figure 6
Calculated XRD patterns for SBT (using monochromatic Cu Kα radiation). (a) Range from 5 to 55° 2θ. (b) Region around 008. (c) Region around 0 0 14. (d) Region around 0 0 20. The black (top) lines in each case correspond to a computation using the structural data published by Shimakawa et al. (1999BB46) for a thin film with 90% c-axis preferred orientation. The red (middle) lines correspond to the computed pattern with the OPB model described in the main text, assuming an OPB angle ([\phi]) of 53° and a displacement ([\delta]) of 0 Å. The blue lines are as for the red but with a displacement ([\delta]) of 4.5 Å and with a narrow normal distribution for f(L), such that [{\mu _L}] = 26.74 nm (37.4 OPBs µm−1) and [{\sigma _L}/{\mu _L}] = 0.05. The purple lines are as for the blue but with a broader distribution for [f\left(L \right)], such that [{\sigma _L}/{\mu _L}] = 0.2.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 58| Part 4| August 2025| Pages 1191-1204
https://doi.org/10.1107/S1600576725004091
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