STRUCTURAL COMPLEXITY OF MOLECULAR, CHAIN, AND LAYERED CRYSTAL STRUCTURES OF NATURAL AND SYNTHETIC ARSENIC SULFIDES
- Авторлар: Banaru D.1, Aksenov S.2, Yamnova N.3, Banaru A.2,3
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Мекемелер:
- Vernadsky Institute of Geochemistry and Analytical Chemistry, Russian Academy of Sciences, Moscow, 119334 Russia
- Kola Science Centre, Russian Academy of Sciences, Apatity, Murmansk oblast, 184209 Russia
- Moscow State University, Moscow, 119991 Russia
- Шығарылым: Том 68, № 2 (2023)
- Беттер: 209-222
- Бөлім: СТРУКТУРА НЕОРГАНИЧЕСКИХ СОЕДИНЕНИЙ
- URL: https://journals.rcsi.science/0023-4761/article/view/137362
- DOI: https://doi.org/10.31857/S0023476123020030
- EDN: https://elibrary.ru/BPUACB
- ID: 137362
Дәйексөз келтіру
Аннотация
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.
Негізгі сөздер
Авторлар туралы
D. Banaru
Vernadsky Institute of Geochemistry and Analytical Chemistry, Russian Academy of Sciences, Moscow, 119334 Russia
Email: banaru@geokhi.ru
Россия, Москва
S. Aksenov
Kola Science Centre, Russian Academy of Sciences, Apatity, Murmansk oblast, 184209 Russia
Email: aks.crys@gmail.com
Россия, Апатиты
N. Yamnova
Moscow State University, Moscow, 119991 Russia
Email: aks.crys@gmail.com
Россия, Москва
A. Banaru
Kola Science Centre, Russian Academy of Sciences, Apatity, Murmansk oblast, 184209 Russia; Moscow State University, Moscow, 119991 Russia
Хат алмасуға жауапты Автор.
Email: aks.crys@gmail.com
Россия, Апатиты; Россия, Москва
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