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New superprotonic crystals with dynamically disordered hydrogen bonds: cation replacements as the alternative to temperature increase
Author(s) -
Selezneva Elena V.,
Makarova Irina P.,
Malyshkina Inna A.,
Gavrilova Nadezhda D.,
Grebenev Vadim V.,
Novik Vitalii K.,
Komornikov Vladimir A.
Publication year - 2017
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.604
H-Index - 33
ISSN - 2052-5206
DOI - 10.1107/s2052520617012847
Subject(s) - conductivity , phase (matter) , atmospheric temperature range , crystallography , trigonal crystal system , crystal (programming language) , phase transition , hydrogen bond , dielectric , chemistry , ionic conductivity , diffraction , electrical resistivity and conductivity , analytical chemistry (journal) , crystal structure , materials science , thermodynamics , molecule , physics , electrical engineering , optoelectronics , organic chemistry , electrode , optics , chromatography , computer science , programming language , electrolyte , engineering
Investigations of new single crystals grown in the K 3 H(SO 4 ) 2 –(NH 4 ) 3 H(SO 4 ) 2 –H 2 O system from solutions with different K:NH 4 concentration ratios have been carried out. Based on the X‐ray diffraction data, the atomic structure of the crystals was determined at room temperature taking H atoms into account. It has been determined that [K 0.43 (NH 4 ) 0.57 ] 3 H(SO 4 ) 2 crystals are trigonal at ambient conditions such as the superprotonic phase of (NH 4 ) 3 H(SO 4 ) 2 at high temperature. A distribution of the K and N atoms in the crystal was modelled on the basis of the refined occupancies of K/N positions. Studies of dielectric properties over the temperature range 223–353 K revealed high values of conductivity of the crystals comparable with the conductivity of known superprotonic compounds at high temperatures, and an anomaly corresponding to a transition to the phase with low conductivity upon cooling.