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首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Thermal structural characterization of the acentric layered perovskite LiHSrTa_2O_7: X-ray and neutron diffraction, SHG and Raman experiments
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Thermal structural characterization of the acentric layered perovskite LiHSrTa_2O_7: X-ray and neutron diffraction, SHG and Raman experiments

机译:层状钙钛矿LiHSrTa_2O_7的热结构表征:X射线和中子衍射,SHG和拉曼实验

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The present work concerns the thermal structural characterization of the acentric Ruddlesden–Popper LiHSrTa_2O_7. A previous study, performed with powder neutron diffraction data, has revealed that at room temperature, LiHSrTa_2O_7 crystallizes in the Ama2 space group and that the acentric character is mainly due to the unequal distribution of the Li~+ and H~+ cations on their sites. In this new paper, the thermal behaviour has been studied by several techniques: powder X-ray and neutron diffraction, SHG experiments and Raman spectroscopy. All of them have revealed that LiHSrTa_2O_7 undergoes a reversible structural transition from an orthorhombic to a tetragonal symmetry around 200 °C. This transition is associated with the progressive vanishing of the TaO_6 octahedra tilting, becoming completely straight in the high temperature form (S.G. I4/mmm), and with a variation of the Li~+ and H~+ distribution in the interlayer spacing.
机译:目前的工作涉及偏心的Ruddlesden-Popper LiHSrTa_2O_7的热结构表征。先前使用粉末中子衍射数据进行的研究表明,室温下,LiHSrTa_2O_7在Ama2空间群中结晶,而偏心特性主要是由于Li〜+和H〜+阳离子在其位点上分布不均。在这篇新论文中,已经通过多种技术研究了热行为:粉末X射线和中子衍射,SHG实验和拉曼光谱。所有这些都揭示了LiHSrTa_2O_7在200°C左右经历了从正交晶体到四方对称的可逆结构转变。这种转变与TaO_6八面体倾斜的逐渐消失,在高温形式(S.G. I4 / mmm)变得完全笔直以及层间间距中Li〜+和H〜+分布的变化有关。

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