The Clathrate Ba8-xSi46 Revisited: Preparation Routes, Electrical and Thermal 
Transport Properties

Castillo, Rodrigo; Schnelle, Walter; Bobnar, Matej; Burkhardt, Ulrich; Böhme, Bodo; Baitinger, Michael; Schwarz, Ulrich; Grin, Yuri

doi:10.1002/zaac.201500001

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The Clathrate Ba_8-xSi₄₆ Revisited: Preparation Routes, Electrical and Thermal Transport Properties

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Castillo, Rodrigo
Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126838

Schnelle, Walter
Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons146769

Bobnar, Matej
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126556

Burkhardt, Ulrich
Ulrich Burkhardt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126538

Böhme, Bodo
Bodo Böhme, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126529

Baitinger, Michael
Michael Baitinger, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126841

Schwarz, Ulrich
Ulrich Schwarz, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126626

Grin, Yuri
Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Castillo, R., Schnelle, W., Bobnar, M., Burkhardt, U., Böhme, B., Baitinger, M., et al. (2015). The Clathrate Ba_8-xSi₄₆ Revisited: Preparation Routes, Electrical and Thermal Transport Properties. Zeitschrift für anorganische und allgemeine Chemie, 641(2), 206-213. doi:10.1002/zaac.201500001.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0026-BFB6-E

Abstract

The clathrate-I Ba8-xSi46 was manufactured from BaSi2 and a-Si by high-pressure high-temperature synthesis at 5 GPa and 900 degrees C and by redox reaction from Ba4Li2Si6. The transport properties were measured on specimens from the high-pressure high-temperature synthesis. The composition of the Ba8-xSi46 phase [space group Pm (3) over bar n, a = 10.3051(1)angstrom] corresponds to x = 0.8(2) according to the refined lattice parameter, the value determined from full-profile refinement of powder X-ray diffraction data amounts to x = 0.73(1), and the chemical analysis results in x = 1.0(1), yielding the average composition Ba7.2(2)Si46. The electrical transport properties of the phase with x = 0.8 were determined in the temperature range 2-300 K using a polycrystalline bulk specimen. The material is a metallic conductor with rho(300 K) = 3.3 mu Omega m and S(300 K) = -6.8 mu V K-1. The thermal conductivity shows a relatively large -for an intermetallic clathrate value of about 8 W.K-1 m(-1).