When size matters: Na17B24O42I5 vs. Na3B4O7I, the iodide-bearing metal halide-deficient representative of the acentric salt inclusion Na3B4O7X family

Авторы: Volkov Sergey N., Charkin Dmitri O., Krzhizhanovskaya Maria G., Gorianskii Alexandr M., Banaru Daria A., Povolotskiy Alexey V., Gosteva Alevtina N., Stefanovich Sergey Yu, Arsent’ev Maxim Yu, Ugolkov Valery L., Savchenko Yevgeny E., Topalov Eduard V., Aksenov Sergey M.
Журнал: Inorganic Chemistry Communications
Год издания: 2024
Издательство: Elsevier BV
Местоположение издательства: Netherlands
Номер статьи: 113059
DOI: 10.1016/j.inoche.2024.113059
Аннотация: Extensive searches for new monovalent metal borates as promising nonlinear optical materials continuously provide new exciting results. Attempts to add the iodine end-member of the acentric Na3B4O7X family resulted in a compound with a complex twofold monoclinic superstructure, Na17B24O42I5. As for the lighter-halide analogies, its crystal structure is formed by a 12B:∞3[3(4:2Δ + 2T)] framework of B4O9 tetraborate groups, 4B:2Δ2□:<Δ2□>=<Δ2□>, yet the guest metalhalidesublattice is less dense and contains 5 NaI per 6 Na2B4O7 formula units, most likely due to the large size of the iodide ion. Upon heating in the presence of excess NaI, Na17B24O42I5 converts into a simple hexagonal Na3B4O7I structure, completely analogous to Na3B4O7Br, also exists above 444 °C.
Добавил в систему: Чаркин Дмитрий Олегович

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