Materials Data on Li(Mg2Si)2 by Materials Project
Li(Mg2Si)2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. All Li–Mg bond lengths are 2.84 Å. Mg is bonded in a 6-coordinate geometry to two equivalent Li and four Si atoms. There are two shorter (2.77 Å) and two longer (2.84 Å) Mg–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. In the second Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.