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Figure 10
Diffuse-scattering intensity from Ba3Co2O6(CO3)0.7, showing selected (hkl) planes of the [(a), (c)] cropped and rebinned experimental data compared with [(b), (d)] RMC refinement values. The region of interest has an h range from −10 to 0, a k range from 0 to 10, an l range from 0 to 4 and a grid size of 0.08. A 12 × 12 × 12 supercell is used. The match between experiment and refinement is good. The comparison for plane l = 0.8 is shown in (a) for the experiment data and (b) for the refinement values, while (c) and (d) show the corresponding data for plane l = 2.8 with the strongest diffuse-scattering features. There are some additional cloudy features in the refined pattern due to the simplified model of rigid molecular displacements. The extra correlations generated by this constraint introduce these artefacts. The RMC refinement is also insensitive to the powder rings associated with the cryomagnet observed in the experimentally obtained pattern as they do not overlap with the main diffuse-scattering features.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 54| Part 6| December 2021| Pages 1867-1885
https://doi.org/10.1107/S1600576721010141
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