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Materials Data on Li2InSi by Materials Project

LiLiInSi is alpha bismuth trifluoride-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of four lithium molecules and one LiInSi framework. In the LiInSi framework, Li1+ is bonded to four equivalent Si4- atoms to form LiSi4 tetrahedra that share corners with four equivalent InSi4 tetrahedra, corners with twelve equivalent LiSi4 tetrahedra, and edges with six equivalent InSi4 tetrahedra. All Li–Si bond lengths are 2.88 Å. In2+ is bonded to four equivalent Si4- atoms to form InSi4 tetrahedra that share corners with four equivalent LiSi4 tetrahedra, corners with twelve equivalent InSi4 tetrahedra, and edges with six equivalent LiSi4 tetrahedra. All In–Si bond lengths are 2.88 Å. Si4- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent In2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on LiInSi by Materials Project

Si(Li)In is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of four indium molecules and one Si(Li) framework. In the Si(Li) framework, Li1+ is bonded to four equivalent Si4- atoms to form distorted corner-sharing LiSi4 tetrahedra. All Li–Si bond lengths are 2.64 Å. Si4- is bonded to four equivalent Li1+ atoms to form corner-sharing SiLi4 tetrahedra.

36 MATERIALS SCIENCE↗