In:
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, International Union of Crystallography (IUCr), Vol. 76, No. 2 ( 2020-04-01), p. 267-274
Abstract:
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.
Type of Medium:
Online Resource
ISSN:
2052-5206
DOI:
10.1107/S2052520620002620
DOI:
10.1107/S2052520620002620/ra5076sup1.cif
DOI:
10.1107/S2052520620002620/ra5076sup11.pdf
DOI:
10.1107/S2052520620002620/ra5076FAPbBr3_1H_10Ksup2.rtv
DOI:
10.1107/S2052520620002620/ra5076FAPbBr3_D4_10Ksup3.rtv
DOI:
10.1107/S2052520620002620/ra5076FAPbBr3_D4_140Ksup4.rtv
DOI:
10.1107/S2052520620002620/ra5076FAPbBr3_1H_180Ksup5.rtv
DOI:
10.1107/S2052520620002620/ra5076FAPbBr3_D4_3Ksup6.rtv
DOI:
10.1107/S2052520620002620/ra5076FAPbBr3_1H_240Ksup7.rtv
DOI:
10.1107/S2052520620002620/ra5076FAPbBr3_D4_240Ksup8.rtv
DOI:
10.1107/S2052520620002620/ra5076FAPbBr3_1H_300Ksup9.rtv
DOI:
10.1107/S2052520620002620/ra5076FAPbBr3_D4_300Ksup10.rtv
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
2020
detail.hit.zdb_id:
2020841-8
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