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Powder diffraction study of new compounds CoGeTe and PdSnTe

František Laufek 1,3Jiří Navrátil 2Anna Vymazalová 1Jakub Plášil 3Tomáš Plecháček 2

1. Czech Geological Survey, Prague 15200, Czech Republic
2. University of Pardubice, Studentska, Pardubice 53210, Czech Republic
3. Charles University, Faculty of Science, Albertov 6, Prague 12843, Czech Republic

Abstract

The crystal structures of two new compounds CoGeTe and PdSnTe were determined by means of conventional powder X-ray diffraction. These phases are of interest in materials science because of their possible thermoelectric applications.

The title compounds CoGeTe and PdSnTe were prepared from the elements by high-temperature solid-state reactions. The crystal structure of CoGeTe was solved by direct methods by means of EXPO2004 [1] program package and its crystal structure was found isostructural with PdSnTe. Both structures were refined by Rietveld method using FullProf program.

In the crystal structures of CoGeTe and PdSnTe (both space group Pbca, 3 independent atoms, Z = 8), each cobalt (palladium) atom is coordinated by three germanium (tin) and three tellurium atoms showing distorted octahedral coordination. One octahedral edge (Ge-Ge or Sn-Sn) in CoGeTe or in PdSnTe is shared with an adjacent octahedron, other vertices of [CoGe3Te3] and [PdSn3Te3] octahedra are connected by corners sharing. The crystal structures of title compounds can be also viewed as a ternary ordered variant of α-NiAs2 (also known as a mineral pararammelsbergite), which is transitional between the marcasite-type and the pyrite-type structures. Part of this work was submitted to the Journal of Alloys and Compounds [2,3]. 

1. A. Altomare, R. Caliandro, M. Camalli, C. Cuocci, C. Giacovazzo, A. Moliterni,
    R. Rizzi, J. Appl. Cryst. 37 (2004), 1025.
2. F. Laufek, J. Navrátil, J. Plášil, T. Plecháček, J. Alloys Compd. (2008), in press.
3. F. Laufek, A. Vymazalová, J. Navrátil, M. Drábek, J. Plášil,T. Plecháček,
    J. Alloys Compd. (2008), in press.

 

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Presentation: Poster at 11th European Powder Diffraction Conference, Poster session, by František Laufek
See On-line Journal of 11th European Powder Diffraction Conference

Submitted: 2008-04-30 11:24
Revised:   2009-06-07 00:48