Cluster Self-Organization of Intermetallic Systems: New Clusters-Precursors K15, K11, and K6 for the Self-Assembly of the Yb72Sn46-tP118 Crystal Structure
The combinatorial-topological analysis and self-assembly of crystal structures of Yb 72 Sn 46 - tP 118 ( a = 11.076 Å, c = 36.933 Å, V = 4530.86 Å 3 , pr. group P 4/ mbm ) intermetallic compounds is modeled using computer methods (the ToposPro software program). For the crystal structure of Yb 72 Sn...
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Veröffentlicht in: | Glass physics and chemistry 2023-12, Vol.49 (Suppl 1), p.S8-S16 |
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Hauptverfasser: | , |
Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | The combinatorial-topological analysis and self-assembly of crystal structures of Yb
72
Sn
46
-
tP
118 (
a
= 11.076 Å,
c
= 36.933 Å,
V
= 4530.86 Å
3
, pr. group
P
4/
mbm
) intermetallic compounds is modeled using computer methods (the ToposPro software program). For the crystal structure of Yb
72
Sn
46
-
tP
118, 195 variants of a cluster representation of a 3D atomic grid with 5 (24 variants), 6 (86 variants), and 7 (85 variants) structural units are established. The variant of the fastest self-assembly involving three types of clusters-precursors forming layers of octahedra
K
6 = 0@6(Yb
4
Sn
2
) with symmetry
g
= 4/
m
, from polyhedra
K
11 = Sn@10(Yb
8
Sn
2
) with symmetry
g
= –1, and polyhedra
K
15 = Yb@14(Yb
10
Sn
4
) with symmetry
g
= 2 mm, as well as Yb and Sn spacer atoms, is considered. The symmetry and topological code of the processes of the self-assembly of 3D structures from clusters-precursors are reconstructed in the following form: primary chain → layer → framework. |
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ISSN: | 1087-6596 1608-313X |
DOI: | 10.1134/S1087659623601016 |