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Pd5InSe and Pd8In2Se - new metal-rich homological selenides with 2D palladium-indium fragments: 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: 13 марта 2014 г.
- Авторы: Zakharova Elena Yu, Kazakov Sergey M., Isaeva Anna A., Abakumov Artem M., Gustaaf Van_Tendeloo, Kuznetsov Alexey N.
- Журнал: Journal of Alloys and Compounds
- Том: 589
- Год издания: 2014
- Издательство: Elsevier BV
- Местоположение издательства: Netherlands
- Первая страница: 48
- Последняя страница: 55
- DOI: 10.1016/j.jallcom.2013.11.172
- Аннотация: Two new metal-rich palladium-indium selenides, Pd5InSe and Pd8In2Se, were synthesized using a high-temperature ampoule technique. Their crystal structures were determined from Rietveld analysis of powder diffraction data, supported by energy-dispersive X-ray spectroscopy and selected area electron diffraction. Both compounds crystallize in tetragonal system with P4/mmm space group (Pd5InSe: a = 4.0290(3) Å, c = 6.9858(5) Å, Z = 1; Pd8In2Se: a = 4.0045(4) Å, c = 10.952(1) Å, Z = 1). The first compound belongs to the Pd5TlAs structure type, while the second one – to a new structure type. Main structural units in both selenides are indium-centered [Pd12In] cuboctahedra of the tetragonally distorted Cu3Au type, single- and double-stacked along the c axis in Pd5InSe and Pd8In2Se, respectively, alternating with [Pd8Se] rectangular prisms. DFT electronic structure calculations predict both compounds to be 3D metallic conductors and Pauli-like paramagnets. According to the bonding analysis based on the electron localization function topology, both compounds feature multi-centered palladium-indium interactions in their heterometallic fragments.
- Добавил в систему: Кузнецов Алексей Николаевич