Crystal structure of a superionic conductor, Li7P3S11

Crystal structure of a superionic conductor, Li7P3S11

A synchrotron X-ray powder diffraction pattern was measured for a lithium superionic conductor, Li7P3S11, which has a high conductivity of 3.2X10-3Scm-1 at room temperature and a low activation energy of 12kJmol-1 [Mizuno et al., Solid State Ionics, vol. 177 (2006) 2721]. The crystal structure was s...

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Veröffentlicht in:Solid state ionics 2007-06, Vol.178 (15-18), p.1163-1167
Hauptverfasser: YAMANE, H, SHIBATA, M, SHIMANE, Y, JUNKE, T, SEINO, Y, ADAMS, S, MINAMI, K, HAYASHI, A, TATSUMISAGO, M
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Sprache:eng
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Zusammenfassung:A synchrotron X-ray powder diffraction pattern was measured for a lithium superionic conductor, Li7P3S11, which has a high conductivity of 3.2X10-3Scm-1 at room temperature and a low activation energy of 12kJmol-1 [Mizuno et al., Solid State Ionics, vol. 177 (2006) 2721]. The crystal structure was solved by a direct space global optimization technique and refined by the Rietveld method. The compound crystallizes in a triclinic cell, space group P-1, a=12.5009(3) A, b=6.03160(17) A, c=12.5303(3) A, alpha=102.845(3) deg , beta=113.2024(18) deg , gamma=74.467(3) deg . PS4 tetrahedra and P2S7 ditetrahedra are contained in the structure and Li ions are situated between them.
ISSN:0167-2738
DOI:10.1016/j.ssi.2007.05.020