Materials Data on Li2YbSi by Materials Project
Li2YbSi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Yb2+ and four equivalent Si4- atoms to form a mixture of face, edge, and corner-sharing LiYb4Si4 tetrahedra. All Li–Yb bond lengths are 2.83 Å. All Li–Si bond lengths are 2.83 Å. Yb2+ is bonded in a 6-coordinate geometry to eight equivalent Li1+ and six equivalent Si4- atoms. All Yb–Si bond lengths are 3.26 Å. Si4- is bonded in a distorted body-centered cubic geometry to eight equivalent Li1+ and six equivalent Yb2+ atoms.
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