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

被引:0
|
作者
Shevchenko, V. Ya. [1 ]
Ilyushin, G. D. [2 ]
机构
[1] Russian Acad Sci, Grebenshchikov Inst Silicate Chem, St Petersburg 199034, Russia
[2] Fed Res Ctr Crystallog & Photon, Moscow 119333, Russia
基金
俄罗斯科学基金会;
关键词
Lu4Te4-oF8; Te4Lu28-oC32; Lu-3(TeLu3)Lu-2-hP9; and Lu66Te24-mC90 intermetallic compounds; crystal structure self-assembly; cluster precursors K3; K4; K5; K7; K8; TOPOLOGICAL ANALYSIS; METAL-RICH; AU; AG; SC8TE3; BI;
D O I
10.1134/S1087659623600084
中图分类号
TQ174 [陶瓷工业]; TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
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 & ANGS;(3)), Te4Lu28-oC32 (Cmcm, V = 908.3 & ANGS;(3)), Lu-3(TeLu3)Lu-2-hP9 (P-62m, V = 908.3 & ANGS;(3)), and Lu66Te24-mC90 (C12/m1, V = 2467.2 & ANGS;(3)) 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@Lu-4 and K4 = 0@TeLu3 with symmetry 2 and m; and for Lu-3(TeLu3)Lu-2, cluster precursors K7 = 0@Lu-3(TeLu3) with symmetry 3m and spacers Lu are established. For the crystal structure of Lu66Te24-mC90, pyramid-shaped cluster precursors K5 = 0@Lu-5 with symmetry 2, tetrahedra K4 = 0@Lu-4 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 & RARR; layer & RARR; framework.
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页码:215 / 223
页数:9
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