金属间化合物体系的团簇自组织:团簇前体K3、K4、K5、K7和K8对Lu66Te24-mC90、Te4Lu28-oC32、Lu3(TeLu3)Lu2-hP9和Lu4Te4-cF8晶体结构的自组装

IF 0.8 4区 材料科学 Q4 MATERIALS SCIENCE, CERAMICS Glass Physics and Chemistry Pub Date : 2023-07-01 DOI:10.1134/S1087659623600084
V. Ya. Shevchenko, G. D. Ilyushin
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引用次数: 0

摘要

利用计算机方法(ToposPro软件包),对Lu4Te4-oF8 (Fm-3m, V = 211.0 Å3)、Te4Lu28-oC32 (Cmcm, V = 908.3 Å3)、Lu3(TeLu3)Lu2-hP9 (P-62m, V = 908.3 Å3)和Lu66Te24-mC90 (C12/m1, V = 2467.2 Å3)晶体结构的自组装进行了组合拓扑分析和建模。对于Lu4Te4-oF8的晶体结构,团簇前驱体K8 = 0@Te4Lu4,对称性为-43m;对于Te4Lu28-oC32,四面体簇前体K4 = 0@Lu4和K4 = 0@TeLu3,对称为2和m;对于Lu3(TeLu3)Lu2,建立了对称性为3m的簇前体K7 = 0@Lu3(TeLu3)和间隔子Lu。对于Lu66Te24-mC90的晶体结构,建立了对称2的金字塔形簇前体K5 = 0@Lu5,对称2的四面体K4 = 0@Lu4,对称2的四面体K4 = 0@TeLu3,四面体K4 = 0@Te2Lu2,环K3 = 0@TeLu2参与了超簇-三聚体的形成。从聚簇前驱体中重构三维结构自组装过程的对称性和拓扑代码,其形式为:主链→层→框架。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Cluster Self-Organization of Intermetallic Systems: Cluster Precursors K3, K4, K5, K7, and K8 for the Self-Assembly of Lu66Te24-mC90, Te4Lu28-oC32, Lu3(TeLu3)Lu2-hP9, and Lu4Te4-cF8 Crystal Structures

With the help of computer methods (ToposPro software package), a combinatorial topological analysis and modeling of the self-assembly of Lu4Te4-oF8 (Fm-3m, V = 211.0 Å3), Te4Lu28-oC32 (Cmcm, V = 908.3 Å3), Lu3(TeLu3)Lu2-hP9 (P-62m, V = 908.3 Å3), and Lu66Te24-mC90 (C12/m1, V = 2467.2 Å3) crystal structures are carried out. For the crystal structure of Lu4Te4-oF8, cluster precursors K8 = 0@Te4Lu4 with symmetry –43m; for Te4Lu28-oC32, tetrahedral cluster precursors K4 = 0@Lu4 and K4 = 0@TeLu3 with symmetry 2 and m; and for Lu3(TeLu3)Lu2, cluster precursors K7 = 0@Lu3(TeLu3) with symmetry 3m and spacers Lu are established. For the crystal structure of Lu66Te24-mC90, pyramid-shaped cluster precursors K5 = 0@Lu5 with symmetry 2, tetrahedra K4 = 0@Lu4 with symmetry 2, tetrahedra K4 = 0@TeLu3, and tetrahedra K4 = 0@Te2Lu2 are established, and rings K3 = 0@TeLu2 are involved in the formation of supraclusters-trimers. The symmetry and topological code of the processes of self-assembly of 3D structures from cluster precursors is reconstructed in the following form: primary chain → layer → framework.

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来源期刊
Glass Physics and Chemistry
Glass Physics and Chemistry 工程技术-材料科学:硅酸盐
CiteScore
1.20
自引率
14.30%
发文量
46
审稿时长
6-12 weeks
期刊介绍: Glass Physics and Chemistry presents results of research on the inorganic and physical chemistry of glass, ceramics, nanoparticles, nanocomposites, and high-temperature oxides and coatings. The journal welcomes manuscripts from all countries in the English or Russian language.
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