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Figure 1
Portions of Rietveld refinement carried out on PND data at (a) 100°C and (b) 300°C. In (a) the peaks in the region 2.2–2.3 Å arise from the subcell; the peak near 2.35 Å in both (a) and (b) is due to the R4+ tilt mode. The additional peaks (`doublets' near d = 2.09 and 2.48 Å) in (b) are due to the M3+ tilt mode. The small peak near d = 2.14 Å is from the vanadium sample holder and the `shoulder' near d = 2.27 Å is due to the minority Li-R3c phase.

IUCrJ
Volume 4| Part 3| May 2017| Pages 215-222
ISSN: 2052-2525
https://doi.org/10.1107/S2052252517002226