Li(Mg2Si)2 crystallizes in the tetragonal P4/mmm space group. Li(1) is bonded in a body-centered cubic geometry to eight equivalent Mg(1) atoms. Mg(1) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a body-centered cubic geometry to eight equivalent Mg(1) atoms. In the second Si site, Si(2) is bonded in a body-centered cubic geometry to eight equivalent Mg(1) atoms.
Li(Mg2Si)2 crystallizes in the tetragonal P4/mmm space group. Li(1) is bonded in a body-centered cubic geometry to eight equivalent Mg(1) atoms. All Li(1)-Mg(1) bond lengths are 2.84 Å. Mg(1) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Si(1), and two equivalent Si(2) atoms. Both Mg(1)-Si(1) bond lengths are 2.84 Å. Both Mg(1)-Si(2) bond lengths are 2.77 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a body-centered cubic geometry to eight equivalent Mg(1) atoms. In the second Si site, Si(2) is bonded in a body-centered cubic geometry to eight equivalent Mg(1) atoms.