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Figure 7
Crystal structure refinement of models A–D by a fit to the PDF using the rigid-body approach with the room-temperature data: (a) A, (b) B, (c) C and (d) D. Observed PDF is shown by the red line, calculated PDF is shown by the black line and the difference curve below is blue. (e) and (f) Comparison of model B obtained by Rietveld refinement (black) and by fit to the PDF (coloured). View directions: (e) [010], (f) [001].

IUCrJ
Volume 9| Part 4| July 2022| Pages 406-424
ISSN: 2052-2525
https://doi.org/10.1107/S2052252522004237