On the charge transfer between conventional cations: the structures of ternary oxides and chalcogenides of alkali metals.

IF 1.9 3区 化学 Acta Crystallographica Section B-structural Science Pub Date : 2012-08-01 Epub Date: 2012-06-28 DOI:10.1107/S0108768112021234
Angel Vegas
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引用次数: 2

Abstract

The structures of ternary oxides and chalcogenides of alkali metals are dissected in light of the extended Zintl-Klemm concept. This model, which has been successfully extended to other compounds different to the Zintl phases, assumes that crystal structures can be better understood if the cation substructures are contemplated as Zintl polyanions. This implies the occurrence of charge transfer between cations, even if they are of the same kind. In this article, the charge transfer between cations is even more illustrative because the two alkali atoms have different electronegativity, so that the less electropositive alkali metal and the O/S atom always form skeletons characteristic of the group 14 elements. Thus, partial structures of the zincblende-, wurtzite-, PbO- and SrAl(2)-type are found in the oxides/sulfides. In this work, such an interpretation of the structures remains at a topological level. The analysis also shows that this interpretation is complementary to the model developed by Andersson and Hyde which contemplates the structures as the intergrowth of structural slabs of more simple compounds.

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传统阳离子间的电荷转移:三元氧化物和碱金属硫族化合物的结构。
根据扩展的Zintl-Klemm概念,分析了碱金属的三元氧化物和硫族化合物的结构。该模型已经成功地扩展到其他不同于Zintl相的化合物中,假设如果将阳离子亚结构视为Zintl聚阴离子,则可以更好地理解晶体结构。这意味着在阳离子之间发生电荷转移,即使它们是同类的。在本文中,阳离子之间的电荷转移更能说明问题,因为两个碱原子具有不同的电负性,所以电正性较低的碱金属和O/S原子总是形成具有14族元素特征的骨架。因此,在氧化物/硫化物中发现了锌闪锌矿型、纤锌矿型、PbO型和SrAl(2)型的部分结构。在这项工作中,这种结构的解释仍然停留在拓扑水平上。分析还表明,这种解释与Andersson和Hyde开发的模型相补充,该模型将结构视为更简单化合物的结构板的共生。
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5.30%
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0
审稿时长
6-12 weeks
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.
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