Materials Data on LiAlSi by Materials Project
LiAlSi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Si4- atoms to form LiSi4 tetrahedra that share corners with four equivalent AlSi4 tetrahedra, corners with twelve equivalent LiSi4 tetrahedra, and edges with six equivalent AlSi4 tetrahedra. All Li–Si bond lengths are 2.57 Å. Al3+ is bonded to four equivalent Si4- atoms to form AlSi4 tetrahedra that share corners with four equivalent LiSi4 tetrahedra, corners with twelve equivalent AlSi4 tetrahedra, and edges with six equivalent LiSi4 tetrahedra. All Al–Si bond lengths are 2.57 Å. Si4- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Al3+ atoms.
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