TY  - JOUR
A1  - Franz, Alexandra
A1  - Többens, Daniel M.
A1  - Lehmann, Frederike
A1  - Kärgell, Martin
A1  - Schorr, Susan
T1  - The influence of deuteration on the crystal structure of hybrid halide perovskites: a temperature-dependent neutron diffraction study of FAPbBr(3)
JF  - Acta crystallographica; Section B, Structural science, crystal engineering and materials
N2  - This paper discusses the full structural solution of the hybrid perovskite formamidinium lead tribromide (FAPbBr(3)) and its temperature-dependent phase transitions in the range from 3 K to 300 K using neutron powder diffraction and synchrotron X-ray diffraction. Special emphasis is put on the influence of deuteration on formamidinium, its position in the unit cell and disordering in comparison to fully hydrogenated FAPbBr(3). The temperature-dependent measurements show that deuteration critically influences the crystal structures, i.e. results in partially-ordered temperature-dependent structural modifications in which two symmetry-independent molecule positions with additional dislocation of the molecular centre atom and molecular angle inclinations are present.
KW  - hybrid perovskite
KW  - FAPbBr(3)
KW  - deuteration
KW  - neutron powder diffraction
KW  - crystal structure
Y1  - 2020
U6  - https://doi.org/10.1107/S2052520620002620
SN  - 2052-5206
VL  - 76
IS  - 2
SP  - 267
EP  - 274
PB  - Wiley-Blackwell
CY  - Oxford [u.a.]
ER  -