Conductivity, its anisotropy and changes as a manifestation of the features of the atomic and real structures of superprotonic [K_1-x(NH₄)_x]₃H(SO₄)₂ crystals.

IF 1.3 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Acta crystallographica Section B, Structural science, crystal engineering and materials Pub Date : 2023-02-01 DOI:10.1107/S2052520622011751

Elena Selezneva, Irina Makarova, Radmir Gainutdinov, Alla Tolstikhina, Inna Malyshkina, Nikolai Somov, Evgeniy Chuprunov

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Abstract

Single crystals of [K_1-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. [K_1-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.

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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。

研究了在K3H(SO4)2-(NH4)3H(SO4)2- h2o水盐体系中生长的[K1-x(NH4)x]3H(SO4)2 (x≥0.57)单晶。在室温下用x射线结构分析确定了含H原子的原子结构。[K1-x(NH4)x]3H(SO4)2 (x≥0.57)晶体在环境条件下具有与K3H(SO4)2、(NH4)3H(SO4)2和其他超质子化合物M3H(AO4)2的高温相相似的三角对称和无序氢键网络。在单晶上进行的阻抗测量显示，超质子相的电导率特性值很高。利用阻抗谱和原子力显微镜的方法，发现了晶体电导率的显著各向异性。研究还表明，在室温下，相同成分和取向的样品的体积和局部电导率具有定性的相关性，这是由于它们的晶体结构的特殊性。

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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%

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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.