T. A. Bird, A. Herlihy and Mark S. Senn, J. Appl. Cryst. (2021). 54. A novel symmetry-adapted pair distribution function analysis (SAPA) method for extracting information on local distortions from pair distribution function data is introduced. The implementation of SAPA is demonstrated in the TOPAS-Academic software using the freely available online software ISODISTORT, and scripts for converting theRead more
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Tobias Bird, Jessica Woodland-Scott, Lei Hu, Michael Wharmby, Jun Chen, Andrew Goodwin, Mark Senn, Phys. Rev. B 101(2020), 064306. We use a symmetry-motivated approach to analysing X-ray pair distribution functions to study the mechanism of negative thermal expansion in two ReO3-like compounds; ScF3 and CaZrF6. Both average and local structure suggest that it is the flexibilityRead more