Structure Topology in Silver(I)‐(poly)chalcogenide Halides: A Helpful Tool to Understand Structure Relations and Properties
Structure Topology in Silver(I)‐(poly)chalcogenide Halides: A Helpful Tool to Understand Structure Relations and Properties
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银(I)-(多)硫族化物卤化物的结构拓扑：理解结构关系和性质的有用工具
DOI：
10.1002/zaac.200900425
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发表时间：
2010
期刊：
影响因子：
--
通讯作者：
O. Osters
中科院分区：
文献类型：
--
作者：
T. Nilges;M. Bawohl;J. Messel;O. Osters
在银（I）-硫属化物卤化物和银（I）-多硫属化物卤化物领域的最新进展导致发现了合理数量的新相、固溶体以及甚至具有有利的电子和热电性质的新物质类别的材料。这些新化合物大多数具有明显的离子迁移性、多晶性和复杂的结构，这导致在结构求解、精细化甚至晶体结构描述过程中存在严重的问题。在这里，我们报告一个非常简单，但有效的建设原则和拓扑结构的方法，这都是基于阴离子子结构的单独描述和离散的积木的引入。这样的拓扑原理有助于理解复杂的结构关系，并允许人们讨论所有已知的硫属化物和多硫属化物卤化物的化合物的连续序列。遵循这一原则，就有可能理解物理性质并预测系统中的新相。
Recent progress in the field of silver(I)-chalcogenide halides and silver(I)-polychalcogenide halides led to the discovery of a reasonable number of new phases, solid solutions and even a new substance class of materials with favorable electronic and thermoelectric properties. Most of these new compounds are characterized by a pronounced ion mobility, polymorphism, and complex structures, which result in severe problems during the structure solution, the refinement, and even the description of the crystal structures. Herein we report on a very simple but effective building principle and a topological structure approach, which are both based on the separate description of anion substructures and the introduction of discrete building blocks. Such a topological principle helps to understand the complex structural relations and allows one to discuss all known chalcogenide and polychalcogenide halides in a continuous sequence of compounds. Following this principle it is possible to understand physical properties and to predict new phases in the system.