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首页> 外文期刊>Crystallography reports >Temperature-induced changes in the single-crystal structure of K _9H_7(SO_4)_8 ? H_2O
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Temperature-induced changes in the single-crystal structure of K _9H_7(SO_4)_8 ? H_2O

机译:温度引起的K _9H_7(SO_4)_8? H_2O

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摘要

Interest in superprotonic crystals of M _m H _n (XO_4)_((m + n)/2) is associated with the solution to the fundamental problem of modern condensed matter physics: investigations of structural phase transitions and the stabilization of phases with high proton conductivity with the aim of designing new functional materials. The available data suggest that changes in the physical properties in these crystals can occur through different structural mechanisms. To reveal the structural conditionality for anomalies in the physical properties, the crystals of K _9H_7(SO_4)_8 ? H_2O were studied by X-ray diffraction in the temperature range of 25-463 K, and the crystal structure of the high-temperature phase was determined at 418 K (sp. gr. Pcan). The results of the study indicate that the occurrence of high conductivity in K_9H_7(SO_4)_8 ? H_2O crystals at high temperatures is associated with the diffusion of water of crystallization, the hydrogen-bond network rearrangement, and the motion of K ions. The hydrogen-bond rearrangement and the hindered back diffusion of water to the crystal stabilize the high-temperature phase and ensure its supercooling to low temperatures.
机译:对M _m H _n(XO_4)_((m + n)/ 2)的超质子晶体的兴趣与解决现代凝聚态物理的基本问题有关:结构相变的研究和高质子相的稳定以设计新型功能材料为目标的导电性。现有数据表明,这些晶体的物理性质变化可以通过不同的结构机理发生。为了揭示物理性质异常的结构条件,K _9H_7(SO_4)_8?在25-463 K的温度范围内通过X射线衍射研究了H_2O,确定的高温相的晶体结构为418 K(sp。gr。Pcan)。研究结果表明,在K_9H_7(SO_4)_8?中出现了高电导率。高温下的H_2O晶体与结晶水的扩散,氢键网络的重排以及K离子的运动有关。氢键重排和水向晶体的反向扩散受阻,可稳定高温相并确保其过冷至低温。

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