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DOE OSTI · 1687430

Materials Data on LiC12 by Materials Project

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Abstract

LiC12 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two LiC12 sheets oriented in the (0, 0, 1) direction. Li1+ is bonded in a cuboctahedral geometry to twelve C+0.08- atoms. All Li–C bond lengths are 2.37 Å. There are three inequivalent C+0.08- sites. In the first C+0.08- site, C+0.08- is bonded in a 4-coordinate geometry to one Li1+ and three C+0.08- atoms. There is two shorter (1.43 Å) and one longer (1.44 Å) C–C bond length. In the second C+0.08- site, C+0.08- is bonded in a 4-coordinate geometry to one Li1+ and three C+0.08- atoms. The C–C bond length is 1.43 Å. In the third C+0.08- site, C+0.08- is bonded in a 4-coordinate geometry to one Li1+ and three C+0.08- atoms. The C–C bond length is 1.44 Å.

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36 MATERIALS SCIENCEC-Licrystal structureLiC12

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2020-04-30. Materials Data on LiC12 by Materials Project. https://doi.org/10.17188/1687430

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