A jumping crystal predicted with molecular dynamics and analysed with TLS refinement against powder diffraction data

van de Streek, J.; Alig, E.; Parsons, S.; Vella-Zarb, L.

doi:10.1107/S205225251801686X

Figure 4
Overlay of the low-temperature phase (blue) and the alternative unit-cell setting with β = 92° (P2₁/n, Z′ = ½) of the high-temperature phase (red).

IUCrJ

Volume 6| Part 1| January 2019| Pages 136-144

ISSN: 2052-2525

https://doi.org/10.1107/S205225251801686X

MATERIALS | COMPUTATION

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