Elena Selezneva, Irina Makarova, Radmir Gainutdinov, Alla Tolstikhina, Inna Malyshkina, Nikolai Somov, Evgeniy Chuprunov
{"title":"电导率及其各向异性及其变化是超质子[K1-x(NH4)x]3H(SO4)2晶体原子结构和实际结构特征的表现。","authors":"Elena Selezneva, Irina Makarova, Radmir Gainutdinov, Alla Tolstikhina, Inna Malyshkina, Nikolai Somov, Evgeniy Chuprunov","doi":"10.1107/S2052520622011751","DOIUrl":null,"url":null,"abstract":"<p><p>Single crystals of [K<sub>1-x</sub>(NH<sub>4</sub>)<sub>x</sub>]<sub>3</sub>H(SO<sub>4</sub>)<sub>2</sub> (x ≥ 0.57) grown in the K<sub>3</sub>H(SO<sub>4</sub>)<sub>2</sub>-(NH<sub>4</sub>)<sub>3</sub>H(SO<sub>4</sub>)<sub>2</sub>-H<sub>2</sub>O water-salt system are studied. The atomic structure including H atoms was determined at room temperature using X-ray structural analysis. [K<sub>1-x</sub>(NH<sub>4</sub>)<sub>x</sub>]<sub>3</sub>H(SO<sub>4</sub>)<sub>2</sub> (x ≥ 0.57) crystals have trigonal symmetry and disordered hydrogen-bond networks at ambient conditions similar to the high-temperature phases of K<sub>3</sub>H(SO<sub>4</sub>)<sub>2</sub>, (NH<sub>4</sub>)<sub>3</sub>H(SO<sub>4</sub>)<sub>2</sub> and other superprotonic compounds M<sub>3</sub>H(AO<sub>4</sub>)<sub>2</sub>. Impedance measurements performed on single crystals show high values of conductivity characteristic for superprotonic phases. Using the methods of impedance spectroscopy and atomic force microscopy, a significant anisotropy of the conductivity of crystals has been detected. It was also shown that there is a qualitative correlation of bulk and local conductivity measured for samples of the same composition and orientation at room temperature, which is due to the peculiarities of their crystal structure.</p>","PeriodicalId":7320,"journal":{"name":"Acta crystallographica Section B, Structural science, crystal engineering and materials","volume":"79 Pt 1","pages":"46-54"},"PeriodicalIF":1.3000,"publicationDate":"2023-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Conductivity, its anisotropy and changes as a manifestation of the features of the atomic and real structures of superprotonic [K<sub>1-x</sub>(NH<sub>4</sub>)<sub>x</sub>]<sub>3</sub>H(SO<sub>4</sub>)<sub>2</sub> crystals.\",\"authors\":\"Elena Selezneva, Irina Makarova, Radmir Gainutdinov, Alla Tolstikhina, Inna Malyshkina, Nikolai Somov, Evgeniy Chuprunov\",\"doi\":\"10.1107/S2052520622011751\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Single crystals of [K<sub>1-x</sub>(NH<sub>4</sub>)<sub>x</sub>]<sub>3</sub>H(SO<sub>4</sub>)<sub>2</sub> (x ≥ 0.57) grown in the K<sub>3</sub>H(SO<sub>4</sub>)<sub>2</sub>-(NH<sub>4</sub>)<sub>3</sub>H(SO<sub>4</sub>)<sub>2</sub>-H<sub>2</sub>O water-salt system are studied. The atomic structure including H atoms was determined at room temperature using X-ray structural analysis. [K<sub>1-x</sub>(NH<sub>4</sub>)<sub>x</sub>]<sub>3</sub>H(SO<sub>4</sub>)<sub>2</sub> (x ≥ 0.57) crystals have trigonal symmetry and disordered hydrogen-bond networks at ambient conditions similar to the high-temperature phases of K<sub>3</sub>H(SO<sub>4</sub>)<sub>2</sub>, (NH<sub>4</sub>)<sub>3</sub>H(SO<sub>4</sub>)<sub>2</sub> and other superprotonic compounds M<sub>3</sub>H(AO<sub>4</sub>)<sub>2</sub>. Impedance measurements performed on single crystals show high values of conductivity characteristic for superprotonic phases. Using the methods of impedance spectroscopy and atomic force microscopy, a significant anisotropy of the conductivity of crystals has been detected. It was also shown that there is a qualitative correlation of bulk and local conductivity measured for samples of the same composition and orientation at room temperature, which is due to the peculiarities of their crystal structure.</p>\",\"PeriodicalId\":7320,\"journal\":{\"name\":\"Acta crystallographica Section B, Structural science, crystal engineering and materials\",\"volume\":\"79 Pt 1\",\"pages\":\"46-54\"},\"PeriodicalIF\":1.3000,\"publicationDate\":\"2023-02-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta crystallographica Section B, Structural science, crystal engineering and materials\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1107/S2052520622011751\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta crystallographica Section B, Structural science, crystal engineering and materials","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1107/S2052520622011751","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Conductivity, its anisotropy and changes as a manifestation of the features of the atomic and real structures of superprotonic [K1-x(NH4)x]3H(SO4)2 crystals.
Single crystals of [K1-x(NH4)x]3H(SO4)2 (x ≥ 0.57) grown in the K3H(SO4)2-(NH4)3H(SO4)2-H2O water-salt system are studied. The atomic structure including H atoms was determined at room temperature using X-ray structural analysis. [K1-x(NH4)x]3H(SO4)2 (x ≥ 0.57) crystals have trigonal symmetry and disordered hydrogen-bond networks at ambient conditions similar to the high-temperature phases of K3H(SO4)2, (NH4)3H(SO4)2 and other superprotonic compounds M3H(AO4)2. Impedance measurements performed on single crystals show high values of conductivity characteristic for superprotonic phases. Using the methods of impedance spectroscopy and atomic force microscopy, a significant anisotropy of the conductivity of crystals has been detected. It was also shown that there is a qualitative correlation of bulk and local conductivity measured for samples of the same composition and orientation at room temperature, which is due to the peculiarities of their crystal structure.
期刊介绍:
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica B is the forum for the publication of such contributions. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.