Abstract

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 ų), Te₄Lu₂₈-oC32 (Cmcm, V = 908.3 ų), Lu₃(TeLu₃)Lu₂-hP9 (P-62m, V = 908.3 ų), and Lu₆₆Te₂₄-mC90 (C12/m1, V = 2467.2 ų) 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.

中文翻译：

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金属间体系的团簇自组织：用于 Lu66Te24-mC90、Te4Lu28-oC32、Lu3(TeLu3)Lu2-hP9 和 Lu4Te4-cF8 晶体结构自组装的团簇前驱体 K3、K4、K5、K7 和 K8

摘要

借助计算机方法（ToposPro软件包），对Lu ₄ Te ₄ - oF 8 ( Fm -3 m , V = 211.0 Å ³ )、Te ₄ Lu ₂₈ - oC的自组装进行组合拓扑分析和建模32 ( Cmcm , V = 908.3 Å ³ )、Lu ₃ (TeLu ₃ )Lu ₂ - hP 9 ( P -62 m , V = 908.3 Å ³ ) 和 Lu ₆₆ Te ₂₄ - mC 90 ( C 12/m 1, V = 2467.2 Å ³ ) 进行晶体结构分析。_{对于Lu 4} Te ₄ - oF 8的晶体结构，簇前驱体K 8 = 0@Te ₄ Lu ₄，对称性为–43 m；对于Te ₄ Lu ₂₈ - oC 32，四面体簇前体K 4 = 0@Lu ₄和K 4 = 0@TeLu ₃，对称性为2 和m；对于 Lu ₃ (TeLu ₃ )Lu ₂，簇前驱体K 7 = 0@Lu ₃建立了对称性为3 m的(TeLu _{3 )和间隔物Lu。对于Lu 66} Te ₂₄ - mC 90的晶体结构，金字塔形团簇前驱体K 5 = 0@Lu ₅，对称性2，四面体K 4 = 0@Lu ₄，对称性2，四面体K 4 = 0@TeLu ₃，成立四面体K 4 = 0@Te ₂ Lu _{2 ，环}K 3 = 0@TeLu ₂参与超簇三聚体的形成。簇前驱体自组装 3D 结构过程的对称性和拓扑代码以以下形式重建：主链 → 层 → 框架。