Synthesis, crystal structure and electronic structure of the binary phase Rh₂Cd₅

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• 作者：Biplab Koley^a ; S. Chatterjee^b ; Partha P. Jana^a ; ^{ppj@chem.iitkgp.ernet.in}
• 关键词：Intermetallics ; Single crystal x-ray diffraction ; Rhodium ; Cadmium ; Layered structure ; Electronic structure calculation
• 刊名：Journal of Solid State Chemistry
• 出版年：2017
• 出版时间：February 2017
• 年：2017
• 卷：246
• 期：Complete
• 页码：302-308
• 全文大小：757 K
• 卷排序：246

文摘

A new phase in the Rh-Cd binary system - Rh2Cd5 has been identified and characterized by single crystal X-ray diffraction and Energy dispersive X-ray analysis. The stoichiometric compound Rh2Cd5 crystallizes with a unit cell containing 14 atoms, in the orthorhombic space group Pbam (55). The crystal structure of Rh2Cd5 can be described as a defect form of the In3Pd5 structure with ordered vacancies, formed of two 2D atomic layers with the stacking sequence: ABAB. The A type layers consist of (3.6.3.6)-Kagomé nets of Cd atoms while the B type layers consist of (35) (37)- nets of both Cd and Rh atoms. The stability of this line phase is investigated by first principle electronic structure calculations on the model of ordered Rh2Cd5.