Cluster Self-Organization of Intermetallic Systems: Precursor Clusters K3, K4, K5, and K6 in the Self-Assembly of Crystalline Structures Sm6Pd10Sn11-mS54 and Sm3Pd5Sn5-mS52.
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| Title: | Cluster Self-Organization of Intermetallic Systems: Precursor Clusters K3, K4, K5, and K6 in the Self-Assembly of Crystalline Structures Sm |
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| Authors: | Ilyushin, G. D.1 (AUTHOR) ilyushin@gmail.com |
| Source: | Glass Physics & Chemistry. Dec2025, Vol. 51 Issue 6, p647-654. 8p. |
| Subjects: | Intermetallic compounds, Microclusters, Crystal structure, Topology |
| Abstract: | Using computational methods (ToposPro software package), a combinatorial–topological analysis and modeling of cluster self-assembly are carried out. The crystal structures Sm6Pd10Sn11-mS54 (a = 17.386 Å, b = 4.514 Å, c = 16.926 Å, β = 121.38°, V = 1134.46 Å3, C2/m) and Sm3Pd5Sn5-mS52 (a = 17.205 Å, b = 4.520 Å, c = 14.206 Å, β = 99.71°, V = 1088.8 Å3, C2/m) are studied. For Sm6Pd10Sn11-mS54, 48 variants for identifying cluster structures with the number of clusters N = 3 (15 variants), 4 (22 variants), and 5 (11 variants) are established. The self-assembly of a crystal structure involving a cluster is considered. Cluster K6-1 = 0@6(Sm2Sn2Pd2) has the form of a double tetrahedron with the center at C1(4e, –1); cluster K6-2 = 0@6(Sm2Pd2Sn2) is a double tetrahedron with the center at C2(4f, –1); cluster K5 = 1Sn@4(Pd2Sn2) has the form of two linked three-atom PdSn2 rings with a common Sn atom at the 2c position with 2/m symmetry; cluster K4 = 0@4 (Pd2Sn2) is a tetrahedron with the center at the 4g position with symmetry 2; and cluster K3 = 0@3(SmSnPd) is formed by three atomic rings with the center at the 8j position. For Sm3Pd5Sn5-mS52, 41 variants of identifying cluster structures with the number of clusters N = 3 (21 variants) and 4 (20 variants) are established. The self-assembly of the crystal structure involving a cluster is considered. Cluster K6-1 = 0@6(Sm2Pd2Sn2) is a double tetrahedron with the center at C1(4e, –1); cluster K6-2 = 0@6(Sm2Pd2Sn2) is a double tetrahedron with the center at C2(8j, 1); cluster K5 = 1Sn@4(Pd2Sn2) consists of linked PdSn2 rings with a common Sn atom at position 2a with 2/m symmetry; and cluster K3 = 0@3(SnPd2) is formed by three rings with the center at position 4h (1/2, 1/3, 1/2). The symmetry and topological code of the self-assembly processes of 3D structures from precursor clusters was reconstructed in the following form: primary chain → layer → framework. [ABSTRACT FROM AUTHOR] |
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| Items | – Name: Title Label: Title Group: Ti Data: Cluster Self-Organization of Intermetallic Systems: Precursor Clusters K3, K4, K5, and K6 in the Self-Assembly of Crystalline Structures Sm<subscript>6</subscript>Pd<subscript>10</subscript>Sn<subscript>11</subscript>-mS54 and Sm<subscript>3</subscript>Pd<subscript>5</subscript>Sn<subscript>5</subscript>-mS52. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Ilyushin%2C+G%2E+D%2E%22">Ilyushin, G. D.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> ilyushin@gmail.com</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Glass+Physics+%26+Chemistry%22">Glass Physics & Chemistry</searchLink>. Dec2025, Vol. 51 Issue 6, p647-654. 8p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Intermetallic+compounds%22">Intermetallic compounds</searchLink><br /><searchLink fieldCode="DE" term="%22Microclusters%22">Microclusters</searchLink><br /><searchLink fieldCode="DE" term="%22Crystal+structure%22">Crystal structure</searchLink><br /><searchLink fieldCode="DE" term="%22Topology%22">Topology</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Using computational methods (ToposPro software package), a combinatorial–topological analysis and modeling of cluster self-assembly are carried out. The crystal structures Sm6Pd10Sn11-mS54 (a = 17.386 Å, b = 4.514 Å, c = 16.926 Å, β = 121.38°, V = 1134.46 Å3, C2/m) and Sm3Pd5Sn5-mS52 (a = 17.205 Å, b = 4.520 Å, c = 14.206 Å, β = 99.71°, V = 1088.8 Å3, C2/m) are studied. For Sm6Pd10Sn11-mS54, 48 variants for identifying cluster structures with the number of clusters N = 3 (15 variants), 4 (22 variants), and 5 (11 variants) are established. The self-assembly of a crystal structure involving a cluster is considered. Cluster K6-1 = 0@6(Sm2Sn2Pd2) has the form of a double tetrahedron with the center at C1(4e, –1); cluster K6-2 = 0@6(Sm2Pd2Sn2) is a double tetrahedron with the center at C2(4f, –1); cluster K5 = 1Sn@4(Pd2Sn2) has the form of two linked three-atom PdSn2 rings with a common Sn atom at the 2c position with 2/m symmetry; cluster K4 = 0@4 (Pd2Sn2) is a tetrahedron with the center at the 4g position with symmetry 2; and cluster K3 = 0@3(SmSnPd) is formed by three atomic rings with the center at the 8j position. For Sm3Pd5Sn5-mS52, 41 variants of identifying cluster structures with the number of clusters N = 3 (21 variants) and 4 (20 variants) are established. The self-assembly of the crystal structure involving a cluster is considered. Cluster K6-1 = 0@6(Sm2Pd2Sn2) is a double tetrahedron with the center at C1(4e, –1); cluster K6-2 = 0@6(Sm2Pd2Sn2) is a double tetrahedron with the center at C2(8j, 1); cluster K5 = 1Sn@4(Pd2Sn2) consists of linked PdSn2 rings with a common Sn atom at position 2a with 2/m symmetry; and cluster K3 = 0@3(SnPd2) is formed by three rings with the center at position 4h (1/2, 1/3, 1/2). The symmetry and topological code of the self-assembly processes of 3D structures from precursor clusters was reconstructed in the following form: primary chain → layer → framework. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Glass Physics & Chemistry is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1134/S1087659625601145 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 8 StartPage: 647 Subjects: – SubjectFull: Intermetallic compounds Type: general – SubjectFull: Microclusters Type: general – SubjectFull: Crystal structure Type: general – SubjectFull: Topology Type: general Titles: – TitleFull: Cluster Self-Organization of Intermetallic Systems: Precursor Clusters K3, K4, K5, and K6 in the Self-Assembly of Crystalline Structures Sm6Pd10Sn11-mS54 and Sm3Pd5Sn5-mS52. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Ilyushin, G. D. IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 12 Text: Dec2025 Type: published Y: 2025 Identifiers: – Type: issn-print Value: 10876596 Numbering: – Type: volume Value: 51 – Type: issue Value: 6 Titles: – TitleFull: Glass Physics & Chemistry Type: main |
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