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Author Koley, Biplab ♦ Chatterjee, S. ♦ Jana, Partha P.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ♦ CADMIUM COMPOUNDS ♦ CRYSTAL STRUCTURE ♦ ELECTRONIC STRUCTURE ♦ EXPERIMENTAL DATA ♦ LAYERS ♦ ORTHORHOMBIC LATTICES ♦ RHODIUM COMPOUNDS ♦ SIMULATION ♦ SPACE GROUPS ♦ VACANCIES ♦ X-RAY DIFFRACTION
Abstract A new phase in the Rh-Cd binary system - Rh{sub 2}Cd{sub 5} has been identified and characterized by single crystal X-ray diffraction and Energy dispersive X-ray analysis. The stoichiometric compound Rh{sub 2}Cd{sub 5} crystallizes with a unit cell containing 14 atoms, in the orthorhombic space group Pbam (55). The crystal structure of Rh{sub 2}Cd{sub 5} can be described as a defect form of the In{sub 3}Pd{sub 5} 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 (3{sup 5}) (3{sup 7})- 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 Rh{sub 2}Cd{sub 5}. - Graphical abstract: (3.6.3.6)-Kagomé nets of cadmium atoms (top) and (3{sup 5}) (3{sup 7})- nets of both cadmium and rhodium atoms (bottom) in the structure of Rh{sub 2}Cd{sub 5}.
ISSN 00224596
Educational Use Research
Learning Resource Type Article
Publisher Date 2017-02-15
Publisher Place United States
Journal Journal of Solid State Chemistry
Volume Number 246


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