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- Publisher
- Springer Journals
- Copyright
- 2010 Pleiades Publishing, Ltd.
- ISSN
- 1063-7745
- eISSN
- 1562-689X
- DOI
- 10.1134/s1063774510070011
- Publisher site
- See Article on Publisher Site
Abstract
Abstract A combinatorial and topological analysis of Li19Na8Ba15 (hP842, a = 20 Å, c = 93 Å, V = 33552 Å3, P \( \bar 3 \)) has been performed using computer methods (the TOPOS program package). Two types of crystal-forming quasi-spherical nanoclusters about 20 Å in diameter with internal Friauf polyhedra (A-172) and icosahedra (B-137) have been established by the complete decomposition of the 3D factor graph of the structure into cluster substructures. Each type of nanoclusters forms close-packed 2D layers 36, which alternate along the c axis. The B-137 and A-172 nanoclusters are composed of three layers and have shell compositions (1 + 12 + 32 + 92) and (1 + 16 + 59 + 103) with local symmetries 3 and \( \bar 3 \), respectively; they were revealed for the first time in crystal structures as cluster precursors. The icosahedral B-137 nanocluster contains a 104-atom quasicrystal approximant (Samson cluster).
Journal
Crystallography Reports – Springer Journals
Published: Dec 1, 2010
Keywords: Crystallography and Scattering Methods