- PII
- S0132665125010024-1
- DOI
- 10.31857/S0132665125010024
- Publication type
- Article
- Status
- Published
- Authors
- Volume/ Edition
- Volume 51 / Issue number 1
- Pages
- 21-30
- Abstract
- С помощью компьютерных методов (пакет программ ToposPro) осуществлены комбинаторно-топологический анализ и моделирование самосборки кристаллических структур LiCuSi-oP40 (a = 7.969 Å, b = 4.449 Å, c = 17.244 Å, V = 611.46 Å), LaRhAl-oP40 (a = 26.949Å, b = 4.218Å, c = 7.267 Å, V = 826.05 Å), CaPtSn-oP40 (a = 27.701 Å, b = 4.614 Å, c = 9.371 Å, V = 1198.02 Å), с пространственной группой Pnma. Для LiCuSi-oP40 рассмотрена самосборка кристаллической структуры с участием супракластеров-тримеров из кластеров K6(4a) = 0@6(LiCu) и двух кластеров K6(8d) = 0@6(CuLi) и атомов-спейсеров Si. Для LaRhAl-oP40 рассмотрена самосборки кристаллической структуры с участием кластеров K3(8d) = 0@3(LaRhAl), кластеров K6(4a) = 0@6(LaRhAl) из связанных кластеров LaRhAl и кластеров K4(8d) = 0@4(LaRhAl). Для CaPtSn-oP40 рассмотрена самосборка кристаллической структуры с кластеров-прекурсоров в виде сдвоенных тетраэдров K6 = 0@6(CaSnPt) и тетраэдров K4 = 0@4(CaSnPt). Реконструирован симметрийный и топологический код процессов самосборки LiCuSi-oP40, LaRhAl-oP40, CaPtSn-oP40 из кластеров-прекурсоров K3, K4, K6 в виде: первичная цепь → слой → каркас.
- Keywords
- Date of publication
- 27.02.2025
- Year of publication
- 2025
- Number of purchasers
- 0
- Views
- 8
References
- 1. Inorganic crystal structure database (ICSD). Fachinformationszentrum Karlsruhe (FIZ), Germany and US National Institute of Standard and Technology (NIST), USA.
- 2. Pearson’s Crystal Data: Crystal Structure Database for Inorganic Compounds. ASM International, Materials Park, Ohio, USA.
- 3. Blatov V.A., Shevchenko A.P., Proserpio D.M. Applied Topological Analysis of Crystal Structures with the Program Package ToposPro // Cryst. Growth Des. 2014. V. 14. № 7. P. 3576-3585. https://topospro.com/
- 4. Slabon A., Budnyk S., Cuervo-Reyes E., Woerle M., Mensing C., Nesper R. Copper silicides with the highest lithium content: Li7CuSi2 containing the16-electron group [CuSi2]7- and Li7.3CuSi3 with heterographene nets infinite (2) [CuSi](3.3-) // Angew. Chem.Int. ed. 2012. V. 5.1. P. 594-596.
- 5. Avzuragova V.A., Nesterenko S.N., Tursina A.I. LaRhAl, La3Rh3Al4, and Ce5Rh5Al6 as a new family of ternary aluminides // Russian Journal of Physical Chemistry. 2017. V. 91. P. 252-254.
- 6. Hoffmann R.D., Kussmann D., Rodewald U.C., Poettgen R., Rosenhahn C., Mosel B.D. New stannides CaTSn2 (T = Rh, Pd, Ir) and Ca2Pt3Sn5 - synthesis, structure and chemical bonding // Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie. 1999. V. 54. P. 709-717.
- 7. Poettgen R., Lang A., Hoffmann R.D., Kuennen B., Kotzyba G., Muellmann R., Mosel B., Rosenhahn C. The stannides YbPtSn and Yb2Pt3Sn5 // Zeitschrift fuer Kristallographie - Crystalline Materials. 1999. V. 214. P. 143-150.
- 8. Von Schnering H.G., Schwarz M., Nesper R. The lithium sodium silicide Li3NaSi6 and the formation of allo-silicon // Journal of the Less-Common Metals. 1988. V. 137. P. 297-310.
- 9. Scherf Lavinia M., Riphaus Nathalie, Faessler Thomas F. Site-specific substitution preferences in the solid solutions Li12Si7-xGex, Li12-yNaySi7, Na7LiSi8-zGez, and Li3NaSi6-vGev // Zeitschrift fuer Anorganische und Allgemeine Chemie. 2016. V. 642. P. 1143-1151.
- 10. Wang M., McDonald R., Mar A. Ternary early-transition-metal palladium pnictides Zr3Pd4P3, Hf3Pd4P3, HfPdSb, and Nb5Pd4P4 // Inorganic Chemistry. 2000. V. 39. P. 4936-4941.
- 11. Chumak I., Warczok P., Richter K.W. The crystal structures of Hf(3+/-delta)Nb(4+/-delta)As3 and Hf7.2Nb3.8As4: Members of a homologous series combining W-type, Mg-type and Al B2-typebuilding blocks // Journal of Solid State Chemistry. 2010. V. 183. P. 557-564.
- 12. Yarmolyuk Ya.P., Gladyshevskii E.I. Crystal structure of compounds R10Ga3Co7 (R = Y, La) // Kristallografiya. 1979. V. 24. P. 455-460.
- 13. Mueller W., Volk K. Die Struktur der Phase Na3.7Sn (ca. Na15Sn4) // Zeitschrift fuer Naturfor-schung, Teil B. Anorganische Chemie, Organische Chemie. 1975. V. 30. P. 494-496.
- 14. Keane P.M., Ibers J.A. Synthesis and structure of a new ternary telluride, Cu1 85Zr2Te6 // Inorganic Chemistry. 1991. V. 30. P. 3096-3098.
- 15. Liu Shengfeng, Corbett J.D. Ba2AuTl7: an intermetallic compound with a novel condensed structure // Inorganic Chemistry. 2004. V. 43. P. 2471-2473.
- 16. Shevchenko V.Yа., Medrish I.V., Ilyushin G.D., Blatov V.A. From clusters to crystals: Scale chemistry of intermetallics // Structural Chemistry. 2019. V. 30. P. 2015-2027.
- 17. Shevchenko V.Ya., Ilyushin G.D. Cluster Self-Organization of Intermetallic Systems: Clusters-Precursors K3, K4, K6 for the Self-Assembly of RbNa8Ga3As6-aP72, Sr2Ca4In3Ge6-oP56, and Sr8Li4In4Ge8-oP24 Crystal Structures // Glass Physics and Chemistry. 2024. V. 50. P. 87-100.
- 18. Shevchenko V.Ya., Ilyushin G.D. Cluster Self-Organization of Intermetallic Systems: Cluster-Precursors K13, K11, K4, and K3 for the Self-Assembly of Crystal Structures Ce56Ni24Si44-mS124 and Ba10La2Si12-oP48 // Glass Physics and Chemistry. 2024. V. 50. P. 1-9.
- 19. Shevchenko V.Ya., Ilyushin G.D. Cluster Self-Organization of Intermetallic Systems: New Clusters-Precursors K6 and K3 for the Crystal Structures of the Sr12Mg20Ge20-oP52, Sr2LiInGe2-oP24, and Sr2Mg2Ge2-oP12 Family // Glass Phys Chem. 2023. V. 49 (Suppl 1). P. S17-S27.
