Intermetallic compounds of the NaCd2 family perceived as assemblies of nanoclusters

Shevchenko, V. Ya.; Блатов, В. А.; Ilyushin, G. D.

doi:10.1007/s11224-009-9500-6

Cited by 56 publications

(24 citation statements)

References 15 publications

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“…These types of icosahedral shells were subsequently used for searching for corresponding nanocluster frag ments using TOPOS software. The search was carried out in a previously developed database [7] of structures of intermetallic compounds that currently contains 25808 records.…”

Section: Methodsmentioning

confidence: 99%

“…Contrary to viruses, which exist in the form of isolated particles and are used as precursors within solidifica tion with the aim of determination of their atomic structure, nanoclusters-precursors in intermetallic compounds exist only in the form of 3D ordered local regions. In order to outline nanoclusters-precursors in intermetallic compounds, special algorithms of decomposition of structure graphs are used [6][7][8]. Nanoclusters-precursors in periodic approximants of i quasicrystal are usually assembled of 2-3 concentric shells [6][7][8].…”

Section: Introductionmentioning

confidence: 99%

“…In order to outline nanoclusters-precursors in intermetallic compounds, special algorithms of decomposition of structure graphs are used [6][7][8]. Nanoclusters-precursors in periodic approximants of i quasicrystal are usually assembled of 2-3 concentric shells [6][7][8]. Since viral capsids also have icosahedral symmetry, searching for their topological analogs in intermetallic compounds has been of interest, which resulted in the carrying out of this work.…”

Section: Introductionmentioning

confidence: 99%

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On similarity of structure of icosahedral viral capsids and shells of metallic nanoclusters

2013

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TOPOS software has been applied for searching for topological types of viral capsids-virus shells generated by self assembly of proteins into geometrically ordered structure (VIPERdb database). Three topo logical capsid types that characterize packing of capsomeres (1) in the form of 12 vertex icosahedron (its ver tex are occupied with pentamers), (2) in the form of 32 vertex polyhedron (12 pentamers + 20 hexamers), and (3) in the form of 62 vertex polyhedron (12 pentamers + 50 hexamers) have been outlined. The three mentioned polyhedral shells have been presented in the form of graphs of edge nets and applied for searching for relevant nanocluster fragments in the developed database of intermetallic compounds (25808 structures). It has been established that local structures in the form of icosahedral shells can be met in 6403 (27.1%) inter metallic compounds. Thirty two atom shells have been found in 469 (2.0%) intermetallic compounds; fur thermore, they are always the second shells of Bergman nanoclusters where the first shell is icosahedron. Sixty two atom polyhedral shells in intermetallic compounds have not been found in intermetallic com pounds; however, a modified 110 atom shell has been obtained on its basis, which is a polyhedron with 72 pentagonal faces. Such a shell has been established in 18 intermetallic compounds, including quasicrystal approximants AlCa 3 Cd 17 , CaCd 6 , Eu 3 Cd 19 , HfNi 2.15 Ca 3.85 , etc.

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Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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On similarity of structure of icosahedral viral capsids and shells of metallic nanoclusters

2013

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“…The enormity of the challenge posed by the structures of intermetallic phases is perhaps most clearly illustrated by the impressive range of approaches that researchers have taken to systematize them: their most complex structures have been viewed as intergrowths of fragments of simple structures [10][11][12][13][14], as packings of nanoclusters [15][16][17][18][19], as "matryoshka dolls" of concentric (1) First, the CE of the atom is defined, as is accomplished unambiguously (for an elemental structure) by a Voronoi-Dirichlet partitioning of the space, a common method for CE determination in intermetallic phases [15]. An atom is considered to be part of the CE if its Voronoi cell shares a face with the central atom's Voronoi cell [55].…”

Section: Introductionmentioning

confidence: 99%

PRINCEPS: A Computer-Based Approach to the Structural Description and Recognition of Trends within Structural Databases, and Its Application to the Ce-Ni-Si System

Guo

Fredrickson

2016

Crystals

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Abstract:Intermetallic crystal structures offer an enormous structural diversity, with an endless array of structural motifs whose connection to stability and physical properties are often mysterious. Making sense of the often complex crystal structures that arise here, developing a clear structural description, and identifying connections to other phases can be laborious and require an encyclopedic knowledge of structure types. In this Article, we present PRINCEPS, an algorithm based on a new coordination environment projection scheme that facilitates the structural analysis and comparison of such crystal structures. We demonstrate the potential of this approach by applying it to the complex Ce-Ni-Si ternary system, whose 17 binary and 21 ternary phases would present a daunting challenge to one seeking to understand the system by manual inspection (but has nonetheless been well-described through the heroic efforts of previous researchers). With the help of PRINCEPS, most of the ternary phases in this system can be rationalized as intergrowths of simple structural fragments, and grouped into a handful of structural series (with some outliers). These results illustrate how the PRINCEPS approach can be used to organize a vast collection of crystal structures into structurally meaningful families, and guide the description of complex atomic arrangements.

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“…17), crs(12), hex (21), fcu (2), sql (1), hxl (The numbers of structures with the given underlying nets are shown in parentheses.…”

mentioning

confidence: 99%

A Collection of Topological Types of Nanoclusters and Its Application to Icosahedron-Based Intermetallics

Pankova¹,

Akhmetshina²,

Блатов³

et al. 2015

Inorg. Chem.

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In this study, we carried out a topological and geometrical analysis of more than 27 000 intermetallics. More than 2000 topologically different nanoclusters were determined and stored in an electronic database as the Topological Types of Nanoclusters (TTN) collection. Besides the topology of the nanoclusters, the TTN collection contains the information on their occurrence as well as on motifs of their assembly in intermetallics; it is included to the set of the ToposPro topological collections. With the TTN collection we analyzed the topology of local binding and overall topological motifs in the 1528 intermetallics assembled with icosahedron-based building units. Taking the TTN collection as a starting point, we present the concept of a knowledge database and an expert system that can be used to process a huge set of data to find general regularities in the crystal structures of intermetallics and to predict some of their features.

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Intermetallic compounds of the NaCd2 family perceived as assemblies of nanoclusters

Cited by 56 publications

References 15 publications

On similarity of structure of icosahedral viral capsids and shells of metallic nanoclusters

On similarity of structure of icosahedral viral capsids and shells of metallic nanoclusters

PRINCEPS: A Computer-Based Approach to the Structural Description and Recognition of Trends within Structural Databases, and Its Application to the Ce-Ni-Si System

A Collection of Topological Types of Nanoclusters and Its Application to Icosahedron-Based Intermetallics

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