Algorithm of Choice of the Structural Module and Modular Design of Crystals

作者:Ivanov V V*; Talanov V M
来源:Russian Journal of Inorganic Chemistry, 2010, 55(6): 915-924.
DOI:10.1134/S0036023610060148

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. Comparative analysis of the theoretically derived module with the modules of experimentally determined modular structures has been performed for spinelloids, compounds with spinel-like structures.

  • 出版日期2010-6