Aperiodic Crystals: Theory, Structure and Properties

A special issue of Crystals (ISSN 2073-4352).

Deadline for manuscript submissions: closed (30 April 2023) | Viewed by 4060

Special Issue Editor


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Guest Editor
Shubnikov Institute of Crystallography, Federal Scientific Research Centre 'Crystallography and Photonics' of Russian Academy of Sciences, 59 Leninsky prospekt, 119333 Moscow, Russia
Interests: aperiodic crystals; incommensurate phases; theory and practice of X-ray structure analysis; structure–properties relationship

Special Issue Information

Dear Colleagues,

There are solids that, like crystals, give X-ray patterns with essentially sharp diffraction peaks, but do not fall within the well-known definition of a crystal as a solid with a three-dimensional periodicity of structure. These solids, called aperiodic crystals, form two large families, namely, modulated crystals and quasicrystals. The atoms of a modulated crystal are displaced from the sites of a three-dimensional lattice according to a periodic law. In other words, the atoms lie on the modulation wave. If the wave period is incommensurate with at least one of the three lattice periods, the structure loses three-dimensional periodicity. The diffraction patterns of modulated crystals contain additional satellite reflections at the interstices of the reciprocal lattice. A special part of this family consists of composites whose atoms form at least two lattices with mutually incommensurate periods. Traditional methods of structural analysis, entirely based on the concepts of atoms at the sites of the crystal lattice and translational symmetry, which is obligatory for any crystal, do not work for incommensurately modulated crystals. The X-ray diffraction patterns of quasicrystals contain elements of non-crystallographic point symmetry, such as axes of the fifth or tenth order. Consequently, their structures, in principle, cannot be described in terms of a crystal lattice consisting of identical unit cells. The structural analysis of aperiodic crystals forms a separate area of research with its own theoretical and computational base, its own experimental features, methods of searching and refining the structural model. The structures of modulated crystals and quasicrystals are effectively explored in spaces of more than three dimensions. Geometric and group-theoretic approaches to the description of the structure of quasicrystals are being developed.

All researchers whose studies cover any aspects of the structural analysis of crystals with a modulated structure, incommensurate composites, quasicrystals, united by the common name "aperiodic crystals", are invited to participate in the Special Issue "Aperiodic Crystals: Theory, Structure and Properties". Theoretical and methodological works, as well as new results of the analysis of aperiodic structures, can be submitted for consideration.

Dr. Nadezhda B. Bolotina
Guest Editor

Manuscript Submission Information

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Keywords

  • structure analysis
  • aperiodic crystals
  • modulated crystals
  • incommensurate composites
  • quasicrystals
  • theory
  • methods
  • data collection
  • structure solution
  • structure refinement

Published Papers (3 papers)

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Research

19 pages, 3665 KiB  
Article
Structure Modulations and Symmetry of Lazurite-Related Sodalite-Group Minerals
by Nadezhda B. Bolotina, Anatoly N. Sapozhnikov, Nikita V. Chukanov and Marina F. Vigasina
Crystals 2023, 13(5), 768; https://doi.org/10.3390/cryst13050768 - 04 May 2023
Cited by 1 | Viewed by 1263
Abstract
Lazurite and other lazurite-related minerals (LRMs) containing sulfur in both sulfate and sulfide forms are sodalite-type compounds with various extraframework species, of which the tendency to order leads to structural modulations with a period that is either commensurate or incommensurate with the period [...] Read more.
Lazurite and other lazurite-related minerals (LRMs) containing sulfur in both sulfate and sulfide forms are sodalite-type compounds with various extraframework species, of which the tendency to order leads to structural modulations with a period that is either commensurate or incommensurate with the period of the basic lattice. In this work, the structures of incommensurately modulated monoclinic LRMs are re-examined based on the superstructure of slyudyankaite, formerly known as triclinic lazurite. Similarities and differences between three one-dimensionally modulated LRMs and cubic LRM structures modulated in several directions are discussed. Assumptions are made on how the symmetry of the structure and the composition of the crystal can affect the period of structural modulation. Full article
(This article belongs to the Special Issue Aperiodic Crystals: Theory, Structure and Properties)
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9 pages, 3519 KiB  
Article
BN Diamane-like Quasicrystal Based on 30° Twisted H-BN Bilayers and Its Approximants: Features of the Atomic Structure and Electronic Properties
by Leonid A. Chernozatonskii and Aleksey I. Kochaev
Crystals 2023, 13(3), 421; https://doi.org/10.3390/cryst13030421 - 28 Feb 2023
Cited by 1 | Viewed by 1238
Abstract
The dodecagonal graphene quasicrystal (GQC) based on a 30° twisted bigraphene has been well investigated. Recently, the sp3-hybridizated carbon analog, the diamane quasicrystal as a H(F) functionalized GQC was proposed. Here we present a study of a similar sp3-hybridizated [...] Read more.
The dodecagonal graphene quasicrystal (GQC) based on a 30° twisted bigraphene has been well investigated. Recently, the sp3-hybridizated carbon analog, the diamane quasicrystal as a H(F) functionalized GQC was proposed. Here we present a study of a similar sp3-hybridizated boron nitride 3-fold symmetry piezoelectric quasicrystal (BNnQC) based on a 30° twisted hexagonal BN bilayer (BNQC). The analysis of the atomic and electronic structures of its approximants based on 29.4° and 27.8° twisted h-BN bilayers has been carried by using of the density functional theory (DFT). The calculated values of the energy gaps ∼5 eV classify this predicted boron nitride material as a new wide-gap 2D quasicrystal. Full article
(This article belongs to the Special Issue Aperiodic Crystals: Theory, Structure and Properties)
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12 pages, 316 KiB  
Article
On Σ-Classes in E8. I. The Neighborhood of E8
by Peter Engel
Crystals 2023, 13(2), 246; https://doi.org/10.3390/cryst13020246 - 01 Feb 2023
Viewed by 1005
Abstract
In the cone of positive quadratic forms C8×8, it is shown that there exists in the neighborhood the quadratic form QE8 , a large cluster of non-equivalent S0-subcones of positive volume. Full article
(This article belongs to the Special Issue Aperiodic Crystals: Theory, Structure and Properties)
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