Title
<tex>$Pd_{5}InSe$</tex> and <tex>$Pd_{8}In_{2}Se$</tex> : new metal-rich homological selenides with 2D palladium-indium fragments : synthesis, structure and bonding <tex>$Pd_{5}InSe$</tex> and <tex>$Pd_{8}In_{2}Se$</tex> : new metal-rich homological selenides with 2D palladium-indium fragments : synthesis, structure and bonding
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
Amsterdam ,
Subject
Physics
Chemistry
Engineering sciences. Technology
Source (journal)
Journal of alloys and compounds. - Amsterdam
Volume/pages
589(2014) , p. 48-55
ISSN
0925-8388
ISI
000330181400008
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
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) angstrom, c = 6.9858(5) angstrom, Z = 1; Pd8In2Se: a = 4.0045(4) angstrom, c = 10.952(1) angstrom, 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. (C) 2013 Elsevier B. V. All rights reserved.
E-info
https://repository.uantwerpen.be/docman/iruaauth/1a791d/1867057.pdf
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