New method for computer analysis of complex intermetallic compounds and nanocluster model of the samson phase Cd3Cu4

被引：18

作者：

Blatov, V. A. ^{[1
]}

Ilyushin, G. D. ^{[2
]}

机构：

[1] Samara State Univ, Samara 443011, Russia

[2] Russian Acad Sci, AV Shubnikov Crystallog Inst, Moscow 119333, Russia

来源：

CRYSTALLOGRAPHY REPORTS | 2010年 / 55卷 / 07期

基金：

俄罗斯基础研究基金会;

关键词：

CRYSTAL-STRUCTURE;

D O I：

10.1134/S1063774510070023

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

A new method is proposed for the computer analysis of crystal structures of complex intermetallic compounds (with more than 1000 atoms per unit cell) using a developed algorithm of the complete decomposition of the 3D graph of the structure into nanocluster substructures. This method has been implemented in the TOPOS software package and approved successfully in an analysis of the complex Cu3Cd4 structure (Samson phase). Cu3Cd4 structure models were used to establish a structural relationship between nanoclusters in this intermetallic compound and nanoclusters in other complex crystal structures: ZrZn22, Ru7Mg44, NaCd2, and Mg2Al3.

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收藏

页码：1100 / 1105

页数：6

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