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Title: Synthesis, crystal structure and electronic structure of the binary phase Rh{sub 2}Cd{sub 5}

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}.

Authors:
 [1];  [2];  [1]
  1. Department of Chemistry, Indian Institute of Technology Kharagpur, Kharagpur 721302 (India)
  2. Department of Physics, Indian Institute of Technology Kharagpur, Kharagpur 721302 (India)
Publication Date:
OSTI Identifier:
22658197
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 246; Other Information: Copyright (c) 2016 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 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

Citation Formats

Koley, Biplab, Chatterjee, S., and Jana, Partha P., E-mail: ppj@chem.iitkgp.ernet.in. Synthesis, crystal structure and electronic structure of the binary phase Rh{sub 2}Cd{sub 5}. United States: N. p., 2017. Web. doi:10.1016/J.JSSC.2016.11.029.
Koley, Biplab, Chatterjee, S., & Jana, Partha P., E-mail: ppj@chem.iitkgp.ernet.in. Synthesis, crystal structure and electronic structure of the binary phase Rh{sub 2}Cd{sub 5}. United States. doi:10.1016/J.JSSC.2016.11.029.
Koley, Biplab, Chatterjee, S., and Jana, Partha P., E-mail: ppj@chem.iitkgp.ernet.in. Wed . "Synthesis, crystal structure and electronic structure of the binary phase Rh{sub 2}Cd{sub 5}". United States. doi:10.1016/J.JSSC.2016.11.029.
@article{osti_22658197,
title = {Synthesis, crystal structure and electronic structure of the binary phase Rh{sub 2}Cd{sub 5}},
author = {Koley, Biplab and Chatterjee, S. and Jana, Partha P., E-mail: ppj@chem.iitkgp.ernet.in},
abstractNote = {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}.},
doi = {10.1016/J.JSSC.2016.11.029},
journal = {Journal of Solid State Chemistry},
number = ,
volume = 246,
place = {United States},
year = {Wed Feb 15 00:00:00 EST 2017},
month = {Wed Feb 15 00:00:00 EST 2017}
}