Structure and Ionic Conductivity of Halocomplexes of Main Group Metallic Elements Studied by NMR and NQR |
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Authors: | Tsutomu Okuda Koji Yamada |
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Institution: | (1) Graduate School of Science, Hiroshima University, Kagamiyama 1-3, 739-8526 Higashi-Hiroshima, Japan |
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Abstract: | Li3InBr6 undergoes phase transition to a lithium superionic conductor at T
tr = 314 K (σ = 5.0 × 10−4 S cm−1 at 330 K). The Rietveld analysis and the DSC measurement suggested that the positional disorder is introduced at the cationic
sites above T
tr. The X-ray powder diffraction pattern at the superionic phase changes gradually with temperature and finally shows a simple
powder pattern at 420 K which is quite similar to that of LiBr. This rock salt structure contains intrinsic vacancies because
one In3+ and two vacancies substitute for three Li+. 7Li and 115In NMR support the rapid diffusion of the Li+ and the introduction of the In3+ into the rock salt structure. On the other hand, the ionic conductivity for Na3InCl6 was 10−5 S cm−1 even at 500 K. Conduction path for the sodium ions could be proposed by means of the Rietveld analysis and the NMR experiment
using a single crystal. |
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Keywords: | 7Li NMR 115In NMR conduction mechanism quadrupole coupling constant ternary halide X-ray diffraction |
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