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Figure 7
Sketch of the ArMAPbI3 structure evolution under compression. Panel (a) schematically shows a plane (pinkish grey square) where the Ar atoms are located. The plane is defined by I atoms and the centre of the MA cation. Panel (b) shows the pressure-induced change of the crystal composition. Panel (c) presents the shortest interatomic distances for Ar–I, Ar–MA and I–MA under different pressures. Panel (d) demonstrates the main trend of the pressure-induced structure evolution: below 1 GPa, Ar, MA and I atoms are arranged in chains, along the shortest Ar–I and Ar–MA distances, shown in (c); under increasing pressure, the number of the Ar positions rises, and the crossing chains form a layer. Each pinkish grey rectangle corresponds to the one shown in (a). Pinkish grey-coloured segments indicate the occupancies of the Ar sites.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 75| Part 3| June 2019| Pages 361-370
https://doi.org/10.1107/S2052520619004554
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