Nature Communications (Apr 2021)

Mixed hierarchical local structure in a disordered metal–organic framework

  • Adam F. Sapnik,
  • Irene Bechis,
  • Sean M. Collins,
  • Duncan N. Johnstone,
  • Giorgio Divitini,
  • Andrew J. Smith,
  • Philip A. Chater,
  • Matthew A. Addicoat,
  • Timothy Johnson,
  • David A. Keen,
  • Kim E. Jelfs,
  • Thomas D. Bennett

Journal volume & issue
Vol. 12, no. 1
pp. 1 – 12


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The structures of amorphous MOFs are challenging to characterise. Here the authors use electron microscopy and pair distribution function methods, coupled with a polymerisation-based algorithm to determine the atomic structure of Fe-BTC, demonstrating the power of this computational approach.