Abstract

The geometric and topological analyses of the K₄₄In₈₀-hR366 (space group R\(\bar {3},\) a = b = 17.214 Å, c = 44.612 Å) and K₃₄In₈₂-cF464 (space group Fd\(\bar {3}\)m, a = 24.241 Å, V= 14244.64 ų) crystal structures are implemented by computer-based methods (ToposPro program). The framework-forming 142-atom icosahedral nanocluster K142 is determined by the method of the complete decomposition of the 3D atomic network of the K₄₄In₈₀ intermetallide into cluster structures. The K142 nanoclusters with the symmetry \(\bar {3}\) are three-layer with the shell composition of 0@12In@32(K₂₆In₆)@98(K₂₆In₇₂). The first two shells form the Bergman cluster. The third shell of 98 atoms is formed by 5-, 6-, and 7-atom rings (5⁵⁴.6³⁸.7⁶) and contained 98 apexes, 270 edges, and 174 faces. The K142 nanoclusters form closely packed two-dimensional layers 3⁶ located with a shift along [001]. The distance between the K142 cluster centers determines the translation vector value a_hex = 17.214 Å. Voids in the 3D framework are occupied by 0@K₆In₂ spacers. Suprapolyhedral clusters K141 with the symmetry –43m comprising four Bergman clusters 0@12In@32 (K₂₀In₁₂), each of which have the symmetry \(\bar {3}\)m, are formed in the K₃₄In₈₂ intermetallide. Voids in the 3D framework are occupied by In(In₄) spacers in the form of tetrahedra with the central atom In, which have the symmetry of –43m. For the K₄₄In₈₀ and K₃₄In₈₂ intermetallides, the symmetric and topological code for the self-assembly processes of the 3D structure from nanocluster precursors K142 and K141 is determined in the following form: primary chain → layer → framework.

中文翻译：

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金属间体系的簇自组织：用于K 44 In 80-hR 366晶体结构自组装的新三层簇K142和用于K 34 In 82-cF 464晶体自组装的Bergman Tetracluster K141结构体

摘要

K ₄₄ In ₈₀ - hR 366（空间群R \（\ bar {3}，\） a = b = 17.214Å，c = 44.612Å）和K ₃₄ In ₈₂ - cF 464（空间的几何和拓扑分析组的Fd \（\巴{3} \）米，α= 24.241埃，V = 14244.64埃³）的晶体结构由基于计算机的方法（ToposPro程序）来实现。通过完全分解K ₄₄ In的3D原子网络的方法来确定形成骨架的142个原子的二十面体纳米簇K142_80年代金属间化合物成簇结构。对称性为\（\ bar {3} \）的K142纳米簇为三层，壳组成为0 @ 12In @ 32（K ₂₆ In ₆）@ 98（K ₂₆ In ₇₂）。前两个壳形成Bergman群集。98个原子的第三个壳层由5、6和7原子环（5 ⁵⁴ .6 ³⁸ .7 ⁶）形成，并包含98个顶点，270个边和174个面。K142纳米簇形成紧密堆积的二维层3 ⁶，该二维层3 ⁶沿[001]偏移。K142聚类中心之间的距离确定平移向量值a_十六进制 = 17.214Å。3D框架中的空隙被0 @ K ₆ In ₂垫片占据。在K ₃₄ In ₈₂中形成了对称性–43 m的超多面体簇K141，其中包括四个Bergman簇0 @ 12In @ 32（K ₂₀ In ₁₂），每个簇具有对称\（\ bar {3} \）m。金属间化合物。3D框架中的空隙被具有中心原子In的四面体形式的In（In ₄）间隔物占据，其对称性为–43 m。对于K ₄₄ In ₈₀和K ₃₄ In ₈₂ 金属间化合物，纳米簇前体K142和K141的3D结构自组装过程的对称和拓扑代码以以下形式确定：主链→层→骨架。