|
ИСТИНА |
Войти в систему Регистрация |
ИПМех РАН |
||
Ag4B7O12X (X = Cl, Br, I) Heptaborate Family: Comprehensive Crystal Chemistry, Thermal Stability Trends, Topology, and Vibrational Anharmonicityстатья
Статья опубликована в высокорейтинговом журнале
Статья опубликована в журнале из списка Web of Science и/или Scopus- Авторы: Volkov Sergey N., Charkin Dmitri O., Firsova Vera A., Manelis Lev S., Banaru Alexander M., Povolotskiy Alexey V., Yukhno Valentina A., Arsent’ev Maxim Yu, Savchenko Yevgeny, Ugolkov Valery L., Krzhizhanovskaya Maria G., Bubnova Rimma S., Aksenov Sergey M.
- Журнал: Inorganic Chemistry
- Том: 62
- Номер: 1
- Год издания: 2023
- Издательство: American Chemical Society
- Местоположение издательства: United States
- Первая страница: 30
- Последняя страница: 34
- DOI: 10.1021/acs.inorgchem.2c03680
- Аннотация: Using glass crystallization and solid-state techniques, we were able to complete the family of the salt-inclusion silver halide borates, Ag4B7O12X, by the X = Cl and X = I members. The new compounds are characterized by DSC, single-crystal and high-temperature powder X-ray diffraction, optical spectroscopy and DFT calculations. In all structures, the silver atoms exhibit strong anharmonicity of thermal vibrations which could be modeled using a Gram-Sharlie expansion and its asymmetry was charac-terized by skewness vector. The topology of the silver-halide and borate sublattices has been analyzed separately for the first time. Along the I→Br→Cl series, we observe decrease of melting point and configuration entropy, increase of thermal expansion and its anisotropy and thermal vibrations anharmonicity which indicates decreasing stability.
- Добавил в систему: Чаркин Дмитрий Олегович