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Figure 11
Plots of the different SAnn refinements of the difference pattern (9.8 K–16.1 K) for four models of Gd2BaCuO5 magnetic structure. (a) Pnma1′(0,0,g)ssss, three sites, 12 free parameters. (b) Pnm211′(0,0,g)ss0s, six sites, 23 free parameters. (c) P21ma1′(0,0,g)0s0s, six sites, 22 free parameters, using the same amplitudes for the Cu atoms. This corresponds to the mixing irreps mLD2⊕mLD3 for the order parameter P-P(a,0|b,0) in the notation of ISODISTORT. The PCR file is that of Fig. 10[link]. (d) Pm1′(0,0,g)ss, 12 sites and 32 free parameters. We concluded that the (c) case is the true magnetic structure of Gd2BaCuO5, because the subgroup in (d) has too many parameters and the improvement is negligible. For details consult the text and the SI of Yanda et al. (2020BB50).

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 81| Part 3| June 2025| Pages 302-317
https://doi.org/10.1107/S2052520625003944
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