Crystal structure and properties of MgCo₄Ge₆

Gieck, Christine and Schreyer, Martin and Fässler, Thomas Friedrich and Raif, Fabian and Claus, Peter :
Crystal structure and properties of MgCo₄Ge₆.
[Online-Edition: http://dx.doi.org/10.1002/ejic.200600298]
In: European Journal of Inorganic Chemistry, 2006 (17) pp. 3482-3488.
[Article] , (2006)

Official URL: http://dx.doi.org/10.1002/ejic.200600298

Abstract

MgCo4Ge6 is a novel compound in the ternary system Mg-Co-Ge. Single crystals for a structure analysis were obtained from mixtures of the elements at high temperatures in sealed tantalum ampoules. The tetragonal structure [I2m; a = 6.1725(9) and c = 8.660(2) Å; YRu4Sn6 structure type] was determined by X-ray single crystal analysis and refined to R1 = 0.027 for all data. The electronic structure is discussed by means of density of states and band-structure analyses on the basis of density functional theory. Chemical bond analysis is performed using the electron localization function (ELF). The catalytic properties of the polar intermetallic alloy with respect to the selective hydrogenation of ,-unsaturated aldehydes are discussed and compared with those of the recently investigated MgCo6Ge6

Item Type:	Article
Erschienen:	2006
Creators:	Gieck, Christine and Schreyer, Martin and Fässler, Thomas Friedrich and Raif, Fabian and Claus, Peter
Title:	Crystal structure and properties of MgCo₄Ge₆
Language:	English
Abstract:	MgCo4Ge6 is a novel compound in the ternary system Mg-Co-Ge. Single crystals for a structure analysis were obtained from mixtures of the elements at high temperatures in sealed tantalum ampoules. The tetragonal structure [I2m; a = 6.1725(9) and c = 8.660(2) Å; YRu4Sn6 structure type] was determined by X-ray single crystal analysis and refined to R1 = 0.027 for all data. The electronic structure is discussed by means of density of states and band-structure analyses on the basis of density functional theory. Chemical bond analysis is performed using the electron localization function (ELF). The catalytic properties of the polar intermetallic alloy with respect to the selective hydrogenation of ,-unsaturated aldehydes are discussed and compared with those of the recently investigated MgCo6Ge6
Journal or Publication Title:	European Journal of Inorganic Chemistry
Volume:	2006
Number:	17
Uncontrolled Keywords:	Intermetallic phases • Germanium • Heterogeneous catalysis • ELF (Electron Localization Function) • Density functional theory
Divisions:	07 Fachbereich Chemie 07 Fachbereich Chemie > Fachgebiet Technische Chemie > Technische Chemie II 07 Fachbereich Chemie > Fachgebiet Technische Chemie
Date Deposited:	20 Mar 2009 08:49
Official URL:	http://dx.doi.org/10.1002/ejic.200600298
Identification Number:	doi:10.1002/ejic.200600298
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