Pub Date : 2025-11-13DOI: 10.1134/S108765962560070X
D. S. Ershov, V. F. Popova, O. Yu. Sinelshchikova, E. A. Tugova
New ceramic materials that have ionic conductivity and can be used as components in various electrochemical devices are being actively developed. This study focuses on the electrical conductivity of a recently prepared layered perovskite-like oxide of La2BaLu2O7, which has a two-layer Ruddlesden–Popper structure. Compounds with this structure exhibit ionic conductivity, whose level depends on the substitutions in the crystal lattice. It is found that the electrical conductivity in La2BaLu2O7 has a mixed oxygen-ionic character, with ionic conductivity accounting for an average of 66.5% of the total conductivity.
{"title":"La2BaLu2O7: A New Mixed Oxygen-Ionic Conductor","authors":"D. S. Ershov, V. F. Popova, O. Yu. Sinelshchikova, E. A. Tugova","doi":"10.1134/S108765962560070X","DOIUrl":"10.1134/S108765962560070X","url":null,"abstract":"<p>New ceramic materials that have ionic conductivity and can be used as components in various electrochemical devices are being actively developed. This study focuses on the electrical conductivity of a recently prepared layered perovskite-like oxide of La<sub>2</sub>BaLu<sub>2</sub>O<sub>7</sub>, which has a two-layer Ruddlesden–Popper structure. Compounds with this structure exhibit ionic conductivity, whose level depends on the substitutions in the crystal lattice. It is found that the electrical conductivity in La<sub>2</sub>BaLu<sub>2</sub>O<sub>7</sub> has a mixed oxygen-ionic character, with ionic conductivity accounting for an average of 66.5% of the total conductivity.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"51 4","pages":"436 - 442"},"PeriodicalIF":0.6,"publicationDate":"2025-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145500728","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-13DOI: 10.1134/S1087659625600048
Jichen Zhang, Haijun Yin, Yi Ding, Qifang Ren
Tailings, as industrial waste, have always been unable to be utilized due to the presence of impurities. If the disc granulation technology can be used to process tailings into ceramic products that meet production requirements and can replace coarse aggregate in terms of performance indicators, it will not only solve the problem of huge consumption of coarse aggregate resources, but also solve the problem of recycling tailings as industrial waste. During the granulation process, there are omni-directional integrative (ODI) constraints between the tailings particles, forming a suspended liquid bridge, which consolidates the constraints to form a shape. This article studies the process of adjusting disc granulation and the ratio of raw materials to obtain high-performance ceramic particles, and improves the strength of ceramic particles through secondary processing.
{"title":"Research on the Preparation of Unburned Ceramic Particles from Recycled Sand Tailings by Disc Granulation Method","authors":"Jichen Zhang, Haijun Yin, Yi Ding, Qifang Ren","doi":"10.1134/S1087659625600048","DOIUrl":"10.1134/S1087659625600048","url":null,"abstract":"<p>Tailings, as industrial waste, have always been unable to be utilized due to the presence of impurities. If the disc granulation technology can be used to process tailings into ceramic products that meet production requirements and can replace coarse aggregate in terms of performance indicators, it will not only solve the problem of huge consumption of coarse aggregate resources, but also solve the problem of recycling tailings as industrial waste. During the granulation process, there are omni-directional integrative (ODI) constraints between the tailings particles, forming a suspended liquid bridge, which consolidates the constraints to form a shape. This article studies the process of adjusting disc granulation and the ratio of raw materials to obtain high-performance ceramic particles, and improves the strength of ceramic particles through secondary processing.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"51 4","pages":"457 - 475"},"PeriodicalIF":0.6,"publicationDate":"2025-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145500729","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-13DOI: 10.1134/S1087659625600632
A. A. Alekseev, Yu. A. Alikina, E. Yu. Brazovskaya, O. Yu. Golubeva
The patterns of formation of geopolymer materials based on aluminosilicates of the kaolinite subgroup (Al2Si2O5(OH)4·nH2O) with different particle morphologies using natural platy kaolinite and nanotubular halloysite as an example under conditions of their alkaline activation are studied. It is found that the compressive strength of halloysite-based samples can be 1.4 times higher than the strength of kaolinite-based samples and reach 85 MPa. X-ray diffraction and electron microscopy studies show differences in the phase composition and morphology of the resulting samples depending on the nature of the initial precursor. Nanotube halloysite-based samples geopolymerize over a wide range of SiO2/Al2O3 ratios, which leads to enhanced mechanical strength. Platy kaolinite can recrystallize under alkaline activation conditions into zeolites with A and Y structures, which, accordingly, reduces the mechanical strength of the samples.
{"title":"Mechanical Strength of Geopolymers Based on Aluminosilicates of the Kaolinite Subgroup with Different Particle Morphologies","authors":"A. A. Alekseev, Yu. A. Alikina, E. Yu. Brazovskaya, O. Yu. Golubeva","doi":"10.1134/S1087659625600632","DOIUrl":"10.1134/S1087659625600632","url":null,"abstract":"<p>The patterns of formation of geopolymer materials based on aluminosilicates of the kaolinite subgroup (Al<sub>2</sub>Si<sub>2</sub>O<sub>5</sub>(OH)<sub>4</sub>·<i>n</i>H<sub>2</sub>O) with different particle morphologies using natural platy kaolinite and nanotubular halloysite as an example under conditions of their alkaline activation are studied. It is found that the compressive strength of halloysite-based samples can be 1.4 times higher than the strength of kaolinite-based samples and reach 85 MPa. X-ray diffraction and electron microscopy studies show differences in the phase composition and morphology of the resulting samples depending on the nature of the initial precursor. Nanotube halloysite-based samples geopolymerize over a wide range of SiO<sub>2</sub>/Al<sub>2</sub>O<sub>3</sub> ratios, which leads to enhanced mechanical strength. Platy kaolinite can recrystallize under alkaline activation conditions into zeolites with A and Y structures, which, accordingly, reduces the mechanical strength of the samples.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"51 4","pages":"411 - 417"},"PeriodicalIF":0.6,"publicationDate":"2025-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145500731","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-13DOI: 10.1134/S1087659625600668
G. D. Ilyushin
Using computer methods (ToposPro software package), a combinatorial–topological analysis and modeling of the self-assembly of Yb4Ni6Al23-mS66 (a = 15.834 Å, b = 4.069 Å, c = 18.180 Å, V = 1079.47 Å3, β = 112.84°, C 2/m, (no. 12), and U4Ni5Al18-mS54 (a = 15.547 Å, b = 4.061 Å, c = 16.458 Å, β = 120.00°, V = 899.89 Å3, Cm (no. 8) crystal structures are carried out. For Y4Ni6Al23-mS66, 85 cluster-structure variants are established: 6 variants with N = 3, 54 variants with N = 4, and 25 variants with N = 5. A variant of the self-assembly of the crystal structure is considered with the participation of clusters K6(–1) = 0@6(Yb2Ni2Al2) and K6 = 0@6(Al2NiAlAl2), K4 = @4(YbNiAl2) in the form of a tetrahedron, and K3 = 0@3 (Al3) in the form of 3 rings, as well as Al spacer atoms. For U4Ni5Al18-mS54, 1023 cluster-structure variants were established: 88 variants with N = 4, 485 variants with N = 5, and 442 variants with N = 6. A variant of the self-assembly of a crystal structure is considered with the participation of clusters K6a = 0@6(UNiAl5), K6b = 0@6(UNiAl5), and K6c = 0@6(U2Al2Ni2) in the form of paired tetrahedra, and clusters K3 = 0@3(NiAl2), as well as spacer atoms Ni5, Al3, and Al4. The symmetry and topological code of the self-assembly processes of 3D structures from precursor clusters is reconstructed in the following form: primary chain → layer → framework.
{"title":"Cluster Self-Organization of Intermetallic Systems: Precursor Clusters K3, K5, and K6 for the Self-Assembly of the Yb4Ni6Al23-mS66 and U4Ni5Al18-mS54 Crystal Structures","authors":"G. D. Ilyushin","doi":"10.1134/S1087659625600668","DOIUrl":"10.1134/S1087659625600668","url":null,"abstract":"<p>Using computer methods (ToposPro software package), a combinatorial–topological analysis and modeling of the self-assembly of Yb<sub>4</sub>Ni<sub>6</sub>Al<sub>23</sub>-<i>mS</i>66 (<i>a</i> = 15.834 Å, <i>b</i> = 4.069 Å, <i>c</i> = 18.180 Å, <i>V</i> = 1079.47 Å<sup>3</sup>, β = 112.84°, C 2/m, (no. 12), and U<sub>4</sub>Ni<sub>5</sub>Al<sub>18</sub>-<i>mS</i>54 (<i>a</i> = 15.547 Å, <i>b</i> = 4.061 Å, <i>c</i> = 16.458 Å, β = 120.00°, <i>V</i> = 899.89 Å<sup>3</sup>, <i>Cm</i> (no. 8) crystal structures are carried out. For Y<sub>4</sub>Ni<sub>6</sub>Al<sub>23</sub>-<i>mS</i>66, 85 cluster-structure variants are established: 6 variants with <i>N</i> = 3, 54 variants with <i>N</i> = 4, and 25 variants with <i>N</i> = 5. A variant of the self-assembly of the crystal structure is considered with the participation of clusters <i>K</i>6(–1) = 0@6(Yb<sub>2</sub>Ni<sub>2</sub>Al<sub>2</sub>) and <i>K</i>6 = 0@6(Al<sub>2</sub>NiAlAl<sub>2</sub>), <i>K</i>4 = @4(YbNiAl2) in the form of a tetrahedron, and <i>K</i>3 = 0@3 (Al<sub>3</sub>) in the form of 3 rings, as well as Al spacer atoms. For U<sub>4</sub>Ni<sub>5</sub>Al<sub>18</sub>-<i>mS</i>54, 1023 cluster-structure variants were established: 88 variants with <i>N</i> = 4, 485 variants with <i>N</i> = 5, and 442 variants with <i>N</i> = 6. A variant of the self-assembly of a crystal structure is considered with the participation of clusters <i>K</i>6a = 0@6(UNiAl<sub>5</sub>), <i>K</i>6b = 0@6(UNiAl<sub>5</sub>), and <i>K</i>6c = 0@6(U<sub>2</sub>Al<sub>2</sub>Ni<sub>2</sub>) in the form of paired tetrahedra, and clusters <i>K</i>3 = 0@3(NiAl<sub>2</sub>), as well as spacer atoms Ni5, Al3, and Al4. The symmetry and topological code of the self-assembly processes of 3D structures from precursor clusters is reconstructed in the following form: primary chain → layer → framework.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"51 4","pages":"351 - 359"},"PeriodicalIF":0.6,"publicationDate":"2025-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145500752","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-13DOI: 10.1134/S1087659625600504
Yu. O. Kopylova, M. G. Krzhizhanovskaya, V. A. Yukhno, R. S. Bubnova
Three borosilicates with the general formula of REE3BSi2O10 (REE = Nd, Eu, Gd) were obtained by the high-temperature solid-state synthesis and studied by powder high-temperature X-ray diffraction (HTXRD) in the temperature range from 30 up to 1050°C. The HTXRD study showed that these borosilicates (orthorhombic, Pbca space group) have similar, nearly isotropic thermal expansion in the whole temperature range; the average coefficients of thermal expansion (CTE) were: 〈αa〉 = 9.6, 〈αb〉 = 8.3, 〈αc〉 = 8.7, with αmax – αmin ≤ 1.2 × 10–6°С–1. The average volume CTE insignificantly decreases with increasing the cation size from 27.2 for Eu and 27.0 for Gd down to 25.8 × 10–6°С–1 for Nd compound while the unit cell volume increases with increasing the REE cation radii in the REE3BSi2O10 series.
{"title":"Thermal Expansion of REE3BSi2O10 (REE = Nd, Eu, Gd) Borosilicates","authors":"Yu. O. Kopylova, M. G. Krzhizhanovskaya, V. A. Yukhno, R. S. Bubnova","doi":"10.1134/S1087659625600504","DOIUrl":"10.1134/S1087659625600504","url":null,"abstract":"<p>Three borosilicates with the general formula of <i>REE</i><sub>3</sub>BSi<sub>2</sub>O<sub>10</sub> (<i>REE</i> = Nd, Eu, Gd) were obtained by the high-temperature solid-state synthesis and studied by powder high-temperature X-ray diffraction (HTXRD) in the temperature range from 30 up to 1050°C. The HTXRD study showed that these borosilicates (orthorhombic, <i>Pbca</i> space group) have similar, nearly isotropic thermal expansion in the whole temperature range; the average coefficients of thermal expansion (CTE) were: 〈α<sub><i>a</i></sub>〉 = 9.6, 〈α<sub><i>b</i></sub>〉 = 8.3, 〈α<sub><i>c</i></sub>〉 = 8.7, with α<sub>max</sub> – α<sub>min</sub> ≤ 1.2 × 10<sup>–6</sup>°С<sup>–1</sup>. The average volume CTE insignificantly decreases with increasing the cation size from 27.2 for Eu and 27.0 for Gd down to 25.8 × 10<sup>–6</sup>°С<sup>–1</sup> for Nd compound while the unit cell volume increases with increasing the <i>REE</i> cation radii in the <i>REE</i><sub>3</sub>BSi<sub>2</sub>O<sub>10</sub> series.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"51 4","pages":"480 - 485"},"PeriodicalIF":0.6,"publicationDate":"2025-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145500730","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-13DOI: 10.1134/S108765962560053X
M. A. Girsova, A. S. Saratovskii, L. N. Kurilenko, T. V. Antropova
Exploratory studies are conducted aimed at developing a method for cleaning photocatalytic composites based on porous glass modified with zinc oxide from the organic dye Methylene Blue, with the aim of regenerating them. The effectiveness of using a combined cleaning method (sequential washing with water and ethyl alcohol followed by heat treatment) is demonstrated, ensuring the preservation of the ZnO content in the composite and its sorption properties in relation to Methylene Blue.
{"title":"On the Possibility of Regenerating Porous Glass–Zinc Oxide Composites after Sorption of Methylene Blue","authors":"M. A. Girsova, A. S. Saratovskii, L. N. Kurilenko, T. V. Antropova","doi":"10.1134/S108765962560053X","DOIUrl":"10.1134/S108765962560053X","url":null,"abstract":"<p>Exploratory studies are conducted aimed at developing a method for cleaning photocatalytic composites based on porous glass modified with zinc oxide from the organic dye Methylene Blue, with the aim of regenerating them. The effectiveness of using a combined cleaning method (sequential washing with water and ethyl alcohol followed by heat treatment) is demonstrated, ensuring the preservation of the ZnO content in the composite and its sorption properties in relation to Methylene Blue.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"51 4","pages":"476 - 479"},"PeriodicalIF":0.6,"publicationDate":"2025-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145500733","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-13DOI: 10.1134/S1087659625600541
N. I. Puchkov, T. G. Matveeva, A. I. Vanin, M. S. Ivanova, V. G. Solovyev, A. V. Cvetkov, M. V. Yanikov
The dielectric properties of nanocomposite materials obtained by dispersing Rochelle salt in porous dielectric matrices of zeolites, asbestos, and opals are studied. A nonmonotonic dependence of the Curie temperature on the size of ferroelectric nanoparticles is established.
{"title":"Size Dependence of the Curie Point of a System of Rochelle Salt Nanoparticles in Porous Dielectric Matrices","authors":"N. I. Puchkov, T. G. Matveeva, A. I. Vanin, M. S. Ivanova, V. G. Solovyev, A. V. Cvetkov, M. V. Yanikov","doi":"10.1134/S1087659625600541","DOIUrl":"10.1134/S1087659625600541","url":null,"abstract":"<p>The dielectric properties of nanocomposite materials obtained by dispersing Rochelle salt in porous dielectric matrices of zeolites, asbestos, and opals are studied. A nonmonotonic dependence of the Curie temperature on the size of ferroelectric nanoparticles is established.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"51 4","pages":"486 - 490"},"PeriodicalIF":0.6,"publicationDate":"2025-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145500734","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Structure of the Pore Space of Vitreous Membranes Doped with Silver Halides","authors":"L. E. Ermakova, A. S. Kuznetsova, M. A. Girsova, A. V. Volkova, L. N. Kurylenko, T. V. Antropova","doi":"10.1134/S1087659625600565","DOIUrl":"10.1134/S1087659625600565","url":null,"abstract":"<p>For mesoporous vitreous matrices and composites based on them—base matrices doped with silver halides (Hal = Cl, Br, I)—the structural parameters (specific surface area, pore diameter, pore size distribution, volume porosity, pore tortuosity coefficient, and structural resistance coefficient) are studied using gas adsorption, liquid filtration, and electrical conductivity methods in 1 : 1 charge electrolyte solutions.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"51 4","pages":"372 - 387"},"PeriodicalIF":0.6,"publicationDate":"2025-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145500754","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-13DOI: 10.1134/S1087659625600620
A. A. Alekseev, Yu. A. Alikina, K. A. Parikh, E. Yu. Brazovskaya, O. Yu. Golubeva
The possibility of obtaining bulk zeolites by alkaline activation and subsequent hydrothermal treatment of natural kaolin grade KR-1 is studied. The alkaline activator is obtained by mixing solutions of water glass and sodium hydroxide. The mass fraction of water glass solution in the alkaline activator is varied from 0 wt % to 90 wt % in 10% increments. Depending on the amount of added liquid glass, amorphous geopolymer materials, as well as bulk zeolites with A and Y structures, are obtained, which is confirmed by the X-ray diffraction (XRD) data. Additional hydrothermal treatment of samples at 140°C in an alkaline medium lead to the crystallization of zeolites with sodalite, faujasite, and zeolite P structures.
{"title":"Synthesis of Bulk Zeolites by Hydrothermal Treatment of Geopolymers","authors":"A. A. Alekseev, Yu. A. Alikina, K. A. Parikh, E. Yu. Brazovskaya, O. Yu. Golubeva","doi":"10.1134/S1087659625600620","DOIUrl":"10.1134/S1087659625600620","url":null,"abstract":"<p>The possibility of obtaining bulk zeolites by alkaline activation and subsequent hydrothermal treatment of natural kaolin grade KR-1 is studied. The alkaline activator is obtained by mixing solutions of water glass and sodium hydroxide. The mass fraction of water glass solution in the alkaline activator is varied from 0 wt % to 90 wt % in 10% increments. Depending on the amount of added liquid glass, amorphous geopolymer materials, as well as bulk zeolites with A and Y structures, are obtained, which is confirmed by the X-ray diffraction (XRD) data. Additional hydrothermal treatment of samples at 140°C in an alkaline medium lead to the crystallization of zeolites with sodalite, faujasite, and zeolite P structures.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"51 4","pages":"418 - 422"},"PeriodicalIF":0.6,"publicationDate":"2025-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145500732","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-13DOI: 10.1134/S108765962560067X
G. D. Ilyushin
Using computer methods (ToposPro software package), a combinatorial–topological analysis and modeling of the self-assembly of Ba11Cd6Sb12-mS58 (a = 34.082 Å, b = 4.891 Å, c = 13.172 Å, β = 109.63°, V = 2068.20 Å3, C12/m1) and Ba11Cd8Bi14-mS66 (a = 28.193 Å, b = 4.893 Å, c = 16.823 Å, β = 90.84°, V = 2320.55 Å3, C12/m1) crystal structures are carried out. For Ba11Cd8Bi14-mS66, 116 cluster-structure variants are established: 2 variants with N = 3, 36 variants with N = 4, and 78 variants with N = 5. A variant of the self-assembly of the crystal structure is considered with the participation of clusters K3(8j) = 0@3 (BaCdBi) in the form of a ring of 3 atoms; K5(2a) = 0@5(BaCd2Bi2) in the form of two rings of three atoms with a common Ba atom; clusters K6(2c, 2/m) = 0@6(Ba4Bi2) in the form of paired tetrahedra; clusters K6(2c, 2/m) = 0@6(Ba2Cd2Bi2) in the form of paired tetrahedra; Bi atoms forming a chain; and Bi spacer atoms. For Ba11Cd6Sb12-mS58, 107 cluster-structure variants are established: 13 variants with N = 3, 39 variants with N = 4, 39 variants with N = 5, and 16 variants with N = 6. A variant of the self-assembly of a crystal structure with the participation of clusters K5(2a, 2/m) = 0@5(BaCd2Sb2) is considered in the form of two rings of three atoms with a common Ba atom; clusters K6(4e, –1) = 0@(Ba4Sb2) in the form of paired tetrahedra; clusters K6(4f, –1) = 0@(Ba2Cd2Sb2) in the form of paired tetrahedra; six atomic clusters K6(2c, 2/m) = 0@4(Ba4Sb2) in the form of paired tetrahedra; Cd and Sb atoms forming a chain; and Sb(4) spacer atoms. The symmetry and topological code of the self-assembly processes of 3D structures from precursor clusters are reconstructed in the following form: primary chain → layer → framework.
{"title":"Cluster Self-Organization of Intermetallic Systems: Precursor Clusters K3, K5, and K6 for the Self-Assembly of Ba11Cd6Sb12-mS58 and Ba11Cd8Bi14-mS66 Crystal Structures","authors":"G. D. Ilyushin","doi":"10.1134/S108765962560067X","DOIUrl":"10.1134/S108765962560067X","url":null,"abstract":"<p>Using computer methods (ToposPro software package), a combinatorial–topological analysis and modeling of the self-assembly of Ba<sub>11</sub>Cd<sub>6</sub>Sb<sub>12</sub>-<i>mS</i>58 (<i>a</i> = 34.082 Å, <i>b</i> = 4.891 Å, <i>c</i> = 13.172 Å, β = 109.63°, <i>V</i> = 2068.20 Å<sup>3</sup>, <i>C</i>12/<i>m</i>1) and Ba<sub>11</sub>Cd<sub>8</sub>Bi<sub>14</sub>-<i>mS</i>66 (<i>a</i> = 28.193 Å, <i>b</i> = 4.893 Å, <i>c</i> = 16.823 Å, β = 90.84°, <i>V</i> = 2320.55 Å<sup>3</sup>, <i>C</i>12/<i>m</i>1) crystal structures are carried out. For Ba<sub>11</sub>Cd<sub>8</sub>Bi<sub>14</sub>-<i>mS</i>66, 116 cluster-structure variants are established: 2 variants with <i>N</i> = 3, 36 variants with <i>N</i> = 4, and 78 variants with <i>N</i> = 5. A variant of the self-assembly of the crystal structure is considered with the participation of clusters <i>K</i>3(8j) = 0@3 (BaCdBi) in the form of a ring of 3 atoms; <i>K</i>5(2a) = 0@5(BaCd<sub>2</sub>Bi<sub>2</sub>) in the form of two rings of three atoms with a common Ba atom; clusters <i>K</i>6(2c, 2/m) = 0@6(Ba<sub>4</sub>Bi<sub>2</sub>) in the form of paired tetrahedra; clusters <i>K</i>6(2c, 2/m) = 0@6(Ba<sub>2</sub>Cd<sub>2</sub>Bi<sub>2</sub>) in the form of paired tetrahedra; Bi atoms forming a chain; and Bi spacer atoms. For Ba<sub>11</sub>Cd<sub>6</sub>Sb<sub>12</sub>-<i>mS</i>58, 107 cluster-structure variants are established: 13 variants with <i>N</i> = 3, 39 variants with <i>N</i> = 4, 39 variants with <i>N</i> = 5, and 16 variants with <i>N</i> = 6. A variant of the self-assembly of a crystal structure with the participation of clusters <i>K</i>5(2a, 2/m) = 0@5(BaCd<sub>2</sub>Sb<sub>2</sub>) is considered in the form of two rings of three atoms with a common Ba atom; clusters <i>K</i>6(4e, –1) = 0@(Ba<sub>4</sub>Sb<sub>2</sub>) in the form of paired tetrahedra; clusters <i>K</i>6(4f, –1) = 0@(Ba<sub>2</sub>Cd<sub>2</sub>Sb<sub>2</sub>) in the form of paired tetrahedra; six atomic clusters <i>K</i>6(2c, 2/m) = 0@4(Ba<sub>4</sub>Sb<sub>2</sub>) in the form of paired tetrahedra; Cd and Sb atoms forming a chain; and Sb(4) spacer atoms. The symmetry and topological code of the self-assembly processes of 3D structures from precursor clusters are reconstructed in the following form: primary chain → layer → framework.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"51 4","pages":"360 - 371"},"PeriodicalIF":0.6,"publicationDate":"2025-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145500748","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}