The influence of deuteration on the crystal structure of hybrid halide perovskites: a temperature-dependent neutron diffraction study of FAPbBr3

Franz, A.; Többens, D.M.; Lehmann, F.; Kärgell, M.; Schorr, S.

doi:10.1107/S2052520620002620

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 3
Octahedral network of FAPbBr₃ at 180 and 240 K (left and middle) and (D₄)-FAPbBr₃ (right) shown along [001] (top) and [ $[10{\overline 1}]$ ] (bottom); the crystal structures adopt space group P4/mbm with in-plane tilted octahedra around the c axis with the molecular distribution at 240 K and 180 K in [110]; in (D₄)-FAPbBr₃, the FA molecule is dislocated from its central position in the cuboctahedral void; the atoms are number and colour coded as follows: hydrogen – 1, yellow; deuterium – 2, red; nitrogen – 3, light blue; carbon – 4, light grey, lead (octahedra) – grey; bromine – brown (edges of octahedra).

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 76| Part 2| April 2020| Pages 267-274

https://doi.org/10.1107/S2052520620002620

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