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Ni5.73InSe2 – a Metal-Rich Selenide Based on the Cu3Au-Type 2D Heterometallic Framework: Synthesis, Structure, and Bondingстатья
Статья опубликована в высокорейтинговом журнале
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 22 февраля 2016 г.
- Авторы: Kuznetsov Alexey N., Serov Alexey A.
- Журнал: European Journal of Inorganic Chemistry
- Том: 2016
- Номер: 3
- Год издания: 2016
- Издательство: John Wiley & Sons Ltd.
- Местоположение издательства: United Kingdom
- Первая страница: 373
- Последняя страница: 379
- DOI: 10.1002/ejic.201501197
- Аннотация: A new metal-rich nickel-indium selenide, Ni5.73InSe2 , was synthesized by annealing a mixture of the elements with the 6:1:2 ratio, respectively, at 650oC for 7 days with subsequent cooling to room temperature. Its crystal structure was determined from single-crystal diffraction data, with the composition confirmed by the EDS. The compound crystallizes in the tetragonal system (I4/mmm, a = 3.6797(5) Å, c = 18.845(4) Å, Z = 2) and is isotypic with the Ni7-xMQ2 phases (M=Si, Ge, Sn, Sb; Q=S, Se, Te). Its main structural units are indium-centered [Ni12In] cuboctahedra of the Cu3Au type, and [Ni4-xSe2] blocks of the Cu2Sb type, alternating along the c axis. Electronic structure calculations on the DFT/FP-LAPW level predict metallic properties and indicate a temperature-independent paramagnetic behavior for the new compound, which is supported by the experimental measurements. The ELI-D topological analysis shows the multi-centered nature of the bonding in both nickelindium and nickel-selenium fragments. Ni5.73InSe2 represents the first example of quasi-2D mixed nickel - group 13 metal chalcogenide featuring [Ni12M] cuboctahedra of the Cu3Au type.
- Добавил в систему: Кузнецов Алексей Николаевич