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- Title
Effect of cationic substitution on the double-well hydrogen-bond potential in [K<sub>1− x</sub>(NH<sub>4</sub>) <sub>x</sub>]<sub>3</sub>H(SO<sub>4</sub>)<sub>2</sub> proton conductors: a single-crystal neutron diffraction study.
- Authors
Choudhury, R. R.; Chitra, R.; Selezneva, E. V.; Makarova, I. P.
- Abstract
The structure of the mixed crystal [K1− x(NH4) x]3H(SO4)2 as obtained from single-crystal neutron diffraction is compared with the previously reported room-temperature neutron structure of crystalline K3H(SO4)2. The two structures are very similar, as indicated by the high value of their isostructurality index (94.8%). It was found that the replacement of even a small amount (3%) of K+ with NH4+ has a significant influence on the short strong hydrogen bond connecting the two SO42− ions. Earlier optical measurements had revealed that the kinetics of the superionic transition in the solid solution [K1− x(NH4) x]3H(SO4)2 are much faster than in K3H(SO4)2; this reported difference in the kinetics of the superionic phase transition in this class of crystal is explained on the basis of the difference in strength of the hydrogen-bond interactions in the two structures.
- Subjects
CATIONIC polymers; HYDROGEN bonding; SOLID state proton conductors
- Publication
Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, Vol 73, Issue 5, p863
- ISSN
2052-5192
- Publication type
Article
- DOI
10.1107/S2052520617008642