Bulletin of the Chemical Society of Japan
Online ISSN : 1348-0634
Print ISSN : 0009-2673
ISSN-L : 0009-2673
Crystal Structure of High Temperature Phase and Ionic Conductivity Mechanism of CuHgSX (X = Cl, Br)
Masakazu Moro’okaHiroshi OhkiKoji YamadaTsutomu Okuda
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2003 Volume 76 Issue 11 Pages 2111-2115

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Abstract

We found a new ionic conduction phase in CuHgSCl above 373 K and in CuHgSBr above 346 K. The crystal structures of these novel phases have been determined by Rietveld refinement of powder X-ray diffraction patterns. The electric conductivity at 500 K measured by AC impedance method was 1.4 × 10−5 S cm−1 for CuHgSCl and 4.0 × 10−6 S cm−1 for CuHgSBr. The activation enthalpy was determined to be 53 kJ mol−1 for CuHgSCl and 67 kJ mol−1 for CuHgSBr. The ionic transport number measurements indicated that Cu+ ions constitute the majority charge carriers in these samples. The electronic contribution to the conduction process is small in comparison with the Cu+ ionic contribution. The charge density analysis by the maximum entropy method (MEM) combined with Rietveld analysis clearly showed that the Cu+ ionic conduction path was along the crystallographic (100) direction.

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© 2003 The Chemical Society of Japan
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