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首页> 外文期刊>Russian Journal of Inorganic Chemistry >Algorithm of Choice of the Structural Module and Modular Design of Crystals
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Algorithm of Choice of the Structural Module and Modular Design of Crystals

机译:晶体结构模块的选择算法与模块设计

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摘要

The principle of modular structure of crystals has been formulated and the possibility of the tailor-made choice of a specified structure type of compounds for subsequent modular design has been discussed. For some structure types based on cubic close packing, the modular characteristics-the fundamental and basic modules and the module that allows to obtain a certain variety of modular structures related to the initial "parent" type-have been described. The algorithm of choice of such a module has been reported. Compar-ative analysis of the theoretically derived module with the modules of experimentally determined modular structures has been performed for spinelloids, compounds with spinel-like structures.
机译:阐述了晶体的模块化结构的原理,并讨论了为后续的模块化设计量身定制化合物的特定结构类型的可能性。对于基于立方密堆积的某些结构类型,已经描述了模块化特性-基本模块和基本模块,以及允许获得与初始“父”类型相关的某些各种模块化结构的模块。已经报道了选择这种模块的算法。对于尖晶石,具有尖晶石样结构的化合物,已经对理论上衍生的模件与实验确定的模件结构的模件进行了比较分析。

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