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Formation of ZnO4 Tetrahedra and ZnO6 Octahedra in TeZnO3 Synthesized under High Pressure
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2018-05-16 00:00:00 , DOI: 10.1021/acs.inorgchem.8b00950
Jianhong Dai 1, 2 , Xudong Shen 1, 2 , Zhehong Liu 1, 2 , Qing Zhao 1, 2 , Xiao Wang 1, 2 , Cheng Dong 1, 2 , Yuecheng Bian 3 , Wei Ding 3 , Zhigao Sheng 3 , Masaki Azuma 4 , Youwen Long 1, 2
Affiliation  

A new TeZnO3 phase was synthesized by high-pressure techniques. Different from the ambient-pressure orthorhombic phase composed of ZnO5 units, the current high-pressure one crystallizes to a monoclinic structure with space group P21/n. Moreover, both ZnO4 tetrahedral and ZnO6 octahedral polyhedra are found to occur in this new phase, providing a unique Zn-based material system that simultaneously possesses two distinct coordinated units. Because the outermost orbitals are fully occupied for both Zn2+ and Te4+, the compound exhibits diamagnetism and strong insulating behavior with a wide bandgap as large as 6.0 eV. Dielectric constant and specific heat measurements show a broad anomaly around 240 K. Low-temperature synchrotron X-ray diffraction reveals an isostructural phase transition at this temperature.

中文翻译:

高压合成的TeZnO 3中ZnO 4四面体和ZnO 6八面体的形成

通过高压技术合成了一种新型的TeZnO 3相。与由ZnO 5单元组成的常压正交晶相不同,当前的高压晶化为空间群P 2 1 / n的单斜晶结构。此外,发现ZnO 4四面体和ZnO 6八面体多面体都出现在这个新相中,从而提供了独特的基于Zn的材料系统,该系统同时拥有两个不同的配位单元。因为Zn 2+和Te 4+都完全占据了最外层的轨道,该化合物表现出抗磁性和强绝缘性能,带隙高达6.0 eV。介电常数和比热测量结果表明,在240 K附近存在一个大的异常现象。低温同步加速器X射线衍射揭示了在该温度下的同构相变。
更新日期:2018-05-16
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