New method for computer analysis of complex intermetallic compounds and nanocluster model of the samson phase Cd{sub 3}Cu{sub 4}
Journal Article
·
· Crystallography Reports
- Samara State University (Russian Federation)
- Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)
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 Cu{sub 3}Cd{sub 4} structure (Samson phase). Cu{sub 3}Cd{sub 4} structure models were used to establish a structural relationship between nanoclusters in this intermetallic compound and nanoclusters in other complex crystal structures: ZrZn{sub 22}, Ru{sub 7}Mg{sub 44}, NaCd{sub 2}, and Mg{sub 2}Al{sub 3}.
- OSTI ID:
- 22054057
- Journal Information:
- Crystallography Reports, Vol. 55, Issue 7; Other Information: Copyright (c) 2010 Pleiades Publishing, Ltd.; Country of input: International Atomic Energy Agency (IAEA); ISSN 1063-7745
- Country of Publication:
- United States
- Language:
- English
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