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Figure 6
Time-of-flight neutron diffractogram for the CaTiO3 system at 50 K. Top: experimental pattern (using data from Knight, 2011BB17). Bottom: simulated pattern obtained from molecular dynamics trajectories using Crystal Diffract from the CrystalMaker code suite (CrystalMaker, 2021aBB4).

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ISSN: 2053-2733
Volume 79| Part 2| March 2023| Pages 163-170
https://doi.org/10.1107/S2053273322011949
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