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Zeitschrift für Naturforschung B

A Journal of Chemical Sciences

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Modulated vacancy ordering in SrGe6−x (x≈0.45)

Ulrich Schwarz
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  • Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Straße 40, Dresden 01187, Germany
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/ Rodrigo Castillo
  • Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Straße 40, Dresden 01187, Germany
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/ Aron Wosylus
  • Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Straße 40, Dresden 01187, Germany
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/ Lev Akselrud
  • Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Straße 40, Dresden 01187, Germany
  • Department of Inorganic Chemistry, Ivan Franko National University of Lviv, Kyryla i Mefodiya St. 6, Lviv 79005, Ukraine
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/ Yurii Prots
  • Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Straße 40, Dresden 01187, Germany
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/ Bernhard Wahl
  • Technische Universität Dresden, Institut für Anorganische Chemie II, Bergstraße 66, Dresden 01069, Germany
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/ Thomas Doert
  • Technische Universität Dresden, Institut für Anorganische Chemie II, Bergstraße 66, Dresden 01069, Germany
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/ Matej Bobnar
  • Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Straße 40, Dresden 01187, Germany
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/ Yuri Grin
  • Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Straße 40, Dresden 01187, Germany
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Published Online: 2018-11-22 | DOI: https://doi.org/10.1515/znb-2018-0200

Abstract

The structural properties of modulated SrGe6−x (x≈0.45) were investigated by means of single-crystal and powder X-ray diffraction combined with quantum chemical calculations. The framework compound SrGe6−x adopts a defect variant of the EuGa2Ge4-type crystal structure. Samples of the binary compound with nominal compositions 0≤x≤0.5 were synthesized at pressures from 5 to 6 GPa and a temperature of typically 1400 K. The product reveals diffraction peaks of the EuGa2Ge4-type subcell plus additional reflections indicating an ordered superstructure. Detailed crystal structure analysis evidences the incommensurate nature of the superstructure and a modulation of the vacancy ordering in the germanium network. The computations have shown that the non-stoichiometric composition of the framework with its local defect organization affects the calculated charge of the strontium anions. Although the chemical composition is close to a charge-balanced situation, temperature-dependent resistivity measurements showed metal-type conductivity. At ambient pressure SrGe6−x decomposes exothermally and irreversibly at T=680(10) K into SrGe2 and germanium, indicating its metastable nature at ambient pressure.

Keywords: clathrate; germanium; high-pressure synthesis; modulated structure; strontium; Zintl phase

Dedicated to: Professor Wolfgang Bensch on the occasion of his 65th birthday.

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About the article

Received: 2018-10-11

Accepted: 2018-10-31

Published Online: 2018-11-22


Citation Information: Zeitschrift für Naturforschung B, 20180200, ISSN (Online) 1865-7117, ISSN (Print) 0932-0776, DOI: https://doi.org/10.1515/znb-2018-0200.

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