Materials Data on LiScSi by Materials Project
LiScSi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of four lithium molecules and one ScSi framework. In the ScSi framework, Sc3+ is bonded to four equivalent Si4- atoms to form corner-sharing ScSi4 tetrahedra. All Sc–Si bond lengths are 2.74 Å. Si4- is bonded to four equivalent Sc3+ atoms to form corner-sharing SiSc4 tetrahedra.
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