Materials Data on BaLiSi by Materials Project
LiBaSi crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Li is bonded in a trigonal planar geometry to six equivalent Ba and three equivalent Si atoms. All Li–Ba bond lengths are 3.47 Å. All Li–Si bond lengths are 2.87 Å. Ba is bonded to six equivalent Li and six equivalent Si atoms to form a mixture of distorted edge and face-sharing BaLi6Si6 cuboctahedra. All Ba–Si bond lengths are 3.47 Å. Si is bonded in a distorted trigonal planar geometry to three equivalent Li and six equivalent Ba atoms.
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