{"title":"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","authors":"V. Ya. Shevchenko, G. D. Ilyushin","doi":"10.1134/S1087659623600084","DOIUrl":null,"url":null,"abstract":"<p>With the help of computer methods (ToposPro software package), a combinatorial topological analysis and modeling of the self-assembly of Lu<sub>4</sub>Te<sub>4</sub>-<i>oF</i>8 (<i>Fm</i>-3<i>m</i>, V = 211.0 Å<sup>3</sup>), Te<sub>4</sub>Lu<sub>28</sub>-<i>oC</i>32 (<i>Cmcm</i>, V = 908.3 Å<sup>3</sup>), Lu<sub>3</sub>(TeLu<sub>3</sub>)Lu<sub>2</sub>-<i>hP</i>9 (<i>P</i>-62<i>m</i>, V = 908.3 Å<sup>3</sup>), and Lu<sub>66</sub>Te<sub>24</sub>-<i>mC</i>90 (<i>C</i>12/<i>m</i>1, V = 2467.2 Å<sup>3</sup>) crystal structures are carried out. For the crystal structure of Lu<sub>4</sub>Te<sub>4</sub>-<i>oF</i>8, cluster precursors <i>K</i>8 = 0@Te<sub>4</sub>Lu<sub>4</sub> with symmetry –43<i>m</i>; for Te<sub>4</sub>Lu<sub>28</sub>-<i>oC</i>32, tetrahedral cluster precursors <i>K</i>4 = 0@Lu<sub>4</sub> and <i>K</i>4 = 0@TeLu<sub>3</sub> with symmetry 2 and <i>m</i>; and for Lu<sub>3</sub>(TeLu<sub>3</sub>)Lu<sub>2</sub>, cluster precursors <i>K</i>7 = 0@Lu<sub>3</sub>(TeLu<sub>3</sub>) with symmetry 3<i>m</i> and spacers Lu are established. For the crystal structure of Lu<sub>66</sub>Te<sub>24</sub>-<i>mC</i>90, pyramid-shaped cluster precursors <i>K</i>5 = 0@Lu<sub>5</sub> with symmetry 2, tetrahedra <i>K</i>4 = 0@Lu<sub>4</sub> with symmetry 2, tetrahedra <i>K</i>4 = 0@TeLu<sub>3</sub>, and tetrahedra <i>K</i>4 = 0@Te<sub>2</sub>Lu<sub>2</sub> are established, and rings <i>K</i>3 = 0@TeLu<sub>2</sub> 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.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"49 3","pages":"215 - 223"},"PeriodicalIF":0.8000,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"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\",\"authors\":\"V. Ya. Shevchenko, G. D. Ilyushin\",\"doi\":\"10.1134/S1087659623600084\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>With the help of computer methods (ToposPro software package), a combinatorial topological analysis and modeling of the self-assembly of Lu<sub>4</sub>Te<sub>4</sub>-<i>oF</i>8 (<i>Fm</i>-3<i>m</i>, V = 211.0 Å<sup>3</sup>), Te<sub>4</sub>Lu<sub>28</sub>-<i>oC</i>32 (<i>Cmcm</i>, V = 908.3 Å<sup>3</sup>), Lu<sub>3</sub>(TeLu<sub>3</sub>)Lu<sub>2</sub>-<i>hP</i>9 (<i>P</i>-62<i>m</i>, V = 908.3 Å<sup>3</sup>), and Lu<sub>66</sub>Te<sub>24</sub>-<i>mC</i>90 (<i>C</i>12/<i>m</i>1, V = 2467.2 Å<sup>3</sup>) crystal structures are carried out. For the crystal structure of Lu<sub>4</sub>Te<sub>4</sub>-<i>oF</i>8, cluster precursors <i>K</i>8 = 0@Te<sub>4</sub>Lu<sub>4</sub> with symmetry –43<i>m</i>; for Te<sub>4</sub>Lu<sub>28</sub>-<i>oC</i>32, tetrahedral cluster precursors <i>K</i>4 = 0@Lu<sub>4</sub> and <i>K</i>4 = 0@TeLu<sub>3</sub> with symmetry 2 and <i>m</i>; and for Lu<sub>3</sub>(TeLu<sub>3</sub>)Lu<sub>2</sub>, cluster precursors <i>K</i>7 = 0@Lu<sub>3</sub>(TeLu<sub>3</sub>) with symmetry 3<i>m</i> and spacers Lu are established. For the crystal structure of Lu<sub>66</sub>Te<sub>24</sub>-<i>mC</i>90, pyramid-shaped cluster precursors <i>K</i>5 = 0@Lu<sub>5</sub> with symmetry 2, tetrahedra <i>K</i>4 = 0@Lu<sub>4</sub> with symmetry 2, tetrahedra <i>K</i>4 = 0@TeLu<sub>3</sub>, and tetrahedra <i>K</i>4 = 0@Te<sub>2</sub>Lu<sub>2</sub> are established, and rings <i>K</i>3 = 0@TeLu<sub>2</sub> 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.</p>\",\"PeriodicalId\":580,\"journal\":{\"name\":\"Glass Physics and Chemistry\",\"volume\":\"49 3\",\"pages\":\"215 - 223\"},\"PeriodicalIF\":0.8000,\"publicationDate\":\"2023-07-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Glass Physics and Chemistry\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://link.springer.com/article/10.1134/S1087659623600084\",\"RegionNum\":4,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"MATERIALS SCIENCE, CERAMICS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Glass Physics and Chemistry","FirstCategoryId":"88","ListUrlMain":"https://link.springer.com/article/10.1134/S1087659623600084","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"MATERIALS SCIENCE, CERAMICS","Score":null,"Total":0}
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。
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.
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.