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The alkaline earth-palladium-germanides Sr3Pd4Ge4 and BaPdGe.

Authors :
Stein, Sebastian
Matar, Samir F.
Schmolke, Kai Heinz
Kösters, Jutta
Pöttgen, Rainer
Source :
Zeitschrift für Naturforschung B: A Journal of Chemical Sciences; Apr2018, Vol. 73 Issue 3/4, p243-250, 8p
Publication Year :
2018

Abstract

The germanides Sr<subscript>3</subscript>Pd<subscript>4</subscript>Ge<subscript>4</subscript> and BaPdGe were obtained from high-temperature reactions in sealed niobium ampoules and their structures have been determined from single-crystal X-ray diffraction data: <italic>a</italic>=444.2(1), <italic>b</italic>=438.1(1), <italic>c</italic>=2472.2(7) pm, space group <italic>Immm</italic>, U<subscript>3</subscript>Ni<subscript>4</subscript>Si<subscript>4</subscript> type, <italic>wR</italic>2=0.0471, 576 unique reflections, 25 parameters for Sr<subscript>3</subscript>Pd<subscript>4</subscript>Ge<subscript>4</subscript> and <italic>a</italic>=677.09(8), space group <italic>P</italic>2<subscript>1</subscript>3, LaIrSi type, <italic>wR</italic>2=0.0322, 409 unique reflections, nine parameters for BaPdGe. Both germanides have pronounced three-dimensional [Pd<subscript>4</subscript>Ge<subscript>4</subscript>]<superscript><italic>δ</italic>−</superscript> and [PdGe]<superscript><italic>δ</italic>−</superscript> polyanionic networks with Pd–Ge bonding interactions. This is confirmed by the density functional theory (DFT)-based electronic structure investigations, the trends of charge transfer and crystal orbital overlap population (COOP) analyses. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
09320776
Volume :
73
Issue :
3/4
Database :
Complementary Index
Journal :
Zeitschrift für Naturforschung B: A Journal of Chemical Sciences
Publication Type :
Academic Journal
Accession number :
128920953
Full Text :
https://doi.org/10.1515/znb-2018-0005