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RAS PhysicsКристаллография Crystallography Reports

  • ISSN (Print) 0023-4761
  • ISSN (Online) 3034-5510

STRUCTURAL COMPLEXITY OF MOLECULAR, CHAIN, AND LAYERED CRYSTAL STRUCTURES OF NATURAL AND SYNTHETIC ARSENIC SULFIDES

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PII
10.31857/S0023476123020030-1
DOI
10.31857/S0023476123020030
Publication type
Status
Published
Authors
D. А. Banaru
  • Affiliation: Vernadsky Institute of Geochemistry and Analytical Chemistry, Russian Academy of Sciences, Moscow, 119334 Russia
V. E. Kireev
  • Affiliation:
    Kola Science Centre, Russian Academy of Sciences, Apatity, Murmansk oblast, 184209 Russia
    Moscow State University, Moscow, 119991 Russia
Volume/ Edition
Volume 68 / Issue number 2
Pages
209-222
Abstract
A ladder-wise calculation scheme has been developed for the structural complexity of heterodesmic crystal structures, with crystal interpreted as a system of contacting molecules, chains, and layers. In the last stage of ladder-wise calculation the structural complexity of the main motif is summed with the complexity of the contacts beyond the main motif in correspondence with the strong additivity rule. The application potential of the scheme is demonstrated, and the calculation results for the crystal structures of natural and synthetic arsenic sulfides are presented. The coordination of molecules and chains that is necessary for calculating the complexity of contacts beyond the main motif is determined by the method of Voronoi–Dirichlet polyhedra.
Keywords
CRYSTAL STRUCTURE ARSENIC SULFIDES
Date of publication
15.09.2025
Year of publication
2025
Number of purchasers
0
Views
16

References

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