Structure-mining: screening structure models by automated fitting to the atomic pair distribution function over large numbers of models

Yang, L.; Juhás, P.; Terban, M.W.; Tucker, M.G.; Billinge, S.J.L.

doi:10.1107/S2053273320002028

Acta Crystallographica Section A
Acta Crystallographica
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Figure 6
R_w values for each of the structures fetched from the databases for the NaFeSi₂O₆ nanowire X-ray data using heuristic 4, filtering for all the structures with Si, O, and two other arbitrary elements from (a) the MPD (green) and (b) the COD (blue). The horizontal dashed line represents the lowest R_w entry found, MPD No. 1021 (NaGaSi₂O₆, s.g.: C2/c).

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ISSN: 2053-2733

Volume 76| Part 3| May 2020| Pages 395-409

https://doi.org/10.1107/S2053273320002028

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