view article
Figure 5
Comparison of powder X-ray diffractograms for ZrMgMo3O12, a zero thermal-expansion material. Bottom: experimental. Middle: simulation based on a structural model obtained from Rietveld refinement. Top: simulation based on a structural model obtained from NMR crystallography (Romao et al., 2015BB54). Although there are no significant differences between the traces identifiable by eye, the NMR-refined structure was shown to be in significantly better agreement with the experimental NMR data.

IUCrJ
Volume 4| Part 4| July 2017| Pages 350-359
ISSN: 2052-2525
https://doi.org/10.1107/S2052252517006042