Features of the crystal structure and surface of superprotonic conductor caesium hydrogen sulfate phosphate.

IF 1.3 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Acta crystallographica Section B, Structural science, crystal engineering and materials Pub Date : 2024-06-01 Epub Date: 2024-05-13 DOI:10.1107/S2052520624003470

Irina P Makarova, Natalia N Isakova, Andrey I Kalyukanov, Radmir V Gainutdinov, Alla L Tolstikhina, Vladimir A Komornikov

引用次数: 0

Abstract

The crystal structure of superprotonic conductor caesium hydrogen sulfate phosphate [Cs₄(HSO₄)₃(H₂PO₄)] have been analyzed using neutron diffraction methods. Additionally, its structure and surface layers have been investigated using atomic force microscopy. From the diffraction data obtained, Fourier syntheses of neutron scattering densities were calculated, and the localization of hydrogen atoms and the parameters of three types of hydrogen bonds in the crystal structure were accurately determined. Correlation of surface characteristics of samples obtained by atomic force microscopy with their crystal structure is shown.

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超质子导体硫酸氢铯磷酸酯的晶体结构和表面特征。

利用中子衍射方法分析了超质子导体硫酸氢铯磷酸盐[Cs4(HSO4)3(H2PO4)]的晶体结构。此外，还使用原子力显微镜对其结构和表面层进行了研究。根据获得的衍射数据，计算了中子散射密度的傅里叶合成，并准确地确定了晶体结构中氢原子的定位和三种氢键的参数。通过原子力显微镜获得的样品表面特征与其晶体结构的相关性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Acta crystallographica Section B, Structural science, crystal engineering and materials CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

3.60

自引率

5.30%

发文量

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.