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 2
Octahedral network of FAPbBr₃ and (D₄)-FAPbBr₃ at 300 K (space group $[Pm{\bar 3}m]$ ). Displayed here is one FA position out of 48; left: FAPbBr₃ unit cell with PbBr₆ octahedra and the inclined FA molecule in the centre; Right: (D₄)-FAPbBr₃ with its FA molecule strongly dislocated from the unit-cell centre; 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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